data_[Pm2Pr4Sm6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0592]
_cell_length_b [4.1460]
_cell_length_c [8.2872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmPr2(SmP2)3]
_chemical_formula_sum '[Pm2 Pr4 Sm6 P12]'
_cell_volume [603.9207]
_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
[
  Pr  Pr0  4  0.1663  0.0000  0.3327  1
  Pm  Pm1  2  0.0000  0.5000  0.0000  1
  Sm  Sm2  4  0.1667  0.0000  0.8336  1
  Sm  Sm3  2  0.0000  0.5000  0.5000  1
  P  P4  4  0.0014  0.0000  0.7499  1
  P  P5  4  0.1654  0.5000  0.5865  1
  P  P6  4  0.1668  0.5000  0.0795  1
]