data_[Tb12P4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0485]
_cell_length_b [13.6494]
_cell_length_c [7.3162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3PSe6]
_chemical_formula_sum '[Tb12 P4 Se24]'
_cell_volume [1103.3252]
_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
[
  Tb  Tb0  8  0.1848  0.0979  0.0282  1.0
  Tb  Tb1  4  0.0000  0.3988  0.0996  1.0
  P  P2  4  0.0000  0.1928  0.4423  1.0
  Se  Se3  8  0.1620  0.4738  0.8137  1.0
  Se  Se4  8  0.1666  0.2623  0.2990  1.0
  Se  Se5  4  0.0000  0.0326  0.3094  1.0
  Se  Se6  4  0.0000  0.2171  0.8817  1.0
]