data_[Pm4U8P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9733]
_cell_length_b [5.6526]
_cell_length_c [12.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PmU2P3]
_chemical_formula_sum '[Pm4 U8 P12]'
_cell_volume [541.8055]
_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  4  0.1252  0.7500  0.0802  1
  U  U1  4  0.1221  0.7500  0.4157  1
  U  U2  4  0.1249  0.7500  0.7531  1
  P  P3  4  0.1181  0.2500  0.4125  1
  P  P4  4  0.1262  0.2500  0.7518  1
  P  P5  4  0.1345  0.2500  0.0874  1
]