data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.8610000000
_cell_length_b         5.8610000000
_cell_length_c         3.7040000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       120.0000
_cell_volume           110.190728
_space_group_crystal_system hexagonal
_space_group_IT_number 189
_space_group_name_H-M_alt 'P-62m'
_space_group_name_Hall 'P -6 -2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,-z'
  '-y,x-y,z'
  'x,y,-z'
  '-x+y,-x,z'
  '-y,x-y,-z'
  'y,x,z'
  '-x,-x+y,-z'
  'x-y,-y,z'
  'y,x,-z'
  '-x,-x+y,z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni     Ni     0.25034000000000     0.00000000000000     0.00000000000000
Mo     Mo     0.58647000000000     0.00000000000000     0.50000000000000
P      P      0.33333333000000     0.66666667000000     0.00000000000000
P      P      0.00000000000000     0.00000000000000     0.50000000000000
