data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         6.9910000000
_cell_length_b        12.8840000000
_cell_length_c         5.6550000000
_cell_angle_alpha        90.0000
_cell_angle_beta        96.1800
_cell_angle_gamma        90.0000
_cell_volume           506.397330
_space_group_crystal_system monoclinic
_space_group_IT_number 11
_space_group_name_H-M_alt 'P2_1/m'
_space_group_name_Hall '-P 2yb'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  '-x,-1/2+y,-z'
  'x,-1/2-y,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu     Cu     0.48190000000000     0.25000000000000     0.21790000000000
Cu     Cu     0.48840000000000     0.25000000000000     0.71390000000000
Ca     Ca     0.84610000000000     0.10610000000000     0.02690000000000
Si     Si     0.23370000000000     0.08030000000000     0.45180000000000
Si     Si     0.94320000000000     0.25000000000000     0.54770000000000
O      O      0.81070000000000     0.25000000000000     0.76240000000000
O      O      0.08470000000000     0.14850000000000     0.59010000000000
O      O      0.43480000000000     0.14750000000000     0.45730000000000
O      O      0.83440000000000     0.25000000000000     0.28470000000000
O      O      0.15390000000000     0.04980000000000     0.18670000000000
O      O      0.72010000000000     0.01890000000000     0.36760000000000
O      O      0.50730000000000     0.14750000000000     0.97140000000000
H      H      0.40000000000000     0.08000000000000     0.98000000000000
H      H      0.62000000000000     0.14000000000000     0.80000000000000
