data_[Tb2Pr4Sm6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [17.9889]
_cell_length_b [4.1298]
_cell_length_c [8.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbPr2(SmP2)3]
_chemical_formula_sum '[Tb2 Pr4 Sm6 P12]'
_cell_volume [596.8519]
_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
[
  Tb  Tb0  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1657  0.0000  0.3318  1.0
  Sm  Sm2  4  0.1668  0.0000  0.8341  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  P  P4  4  0.0017  0.0000  0.7544  1.0
  P  P5  4  0.1651  0.5000  0.0785  1.0
  P  P6  4  0.1654  0.5000  0.5865  1.0
]