data_[Tb12Te6P2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2619]
_cell_length_b [12.5738]
_cell_length_c [7.4342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Te3PSe2]
_chemical_formula_sum '[Tb12 Te6 P2 Se4]'
_cell_volume [641.9532]
_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  8  0.2292  0.1584  0.2130  1.0
  Tb  Tb1  4  0.2439  0.0000  0.7840  1.0
  Te  Te2  4  0.0000  0.1709  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
  P  P4  2  0.0000  0.0000  0.0000  1.0
  Se  Se5  4  0.0000  0.3344  0.0000  1.0
]