data_[Pm2Cd4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0724]
_cell_length_b [4.0724]
_cell_length_c [11.4783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PmCd2P]
_chemical_formula_sum '[Pm2 Cd4 P2]'
_cell_volume [190.3586]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.7393  1
  Cd  Cd1  4  0.0000  0.5000  0.4916  1
  P  P2  2  0.0000  0.0000  0.2778  1
]