data_[Tb4Ce6Pr2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1110]
_cell_length_b [12.3183]
_cell_length_c [7.0998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ce3PrP6]
_chemical_formula_sum '[Tb4 Ce6 Pr2 P12]'
_cell_volume [586.2402]
_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  4  0.0000  0.3329  0.0000  1.0
  Ce  Ce1  4  0.0000  0.1656  0.5000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  2  0.0000  0.0000  0.0000  1.0
  P  P4  8  0.2460  0.6697  0.7474  1.0
  P  P5  4  0.2443  0.5000  0.2514  1.0
]