data_[Pm12Ni8P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0164]
_cell_length_b [10.7413]
_cell_length_c [13.9136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Ni2P3]
_chemical_formula_sum '[Pm12 Ni8 P12]'
_cell_volume [600.2590]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Pm  Pm0  8  0.0000  0.0750  0.6070  1
  Pm  Pm1  4  0.0000  0.3597  0.7500  1
  Ni  Ni2  8  0.0000  0.2237  0.0923  1
  P  P3  8  0.0000  0.3593  0.5470  1
  P  P4  4  0.0000  0.3407  0.2500  1
]