data_[Tb10Pt2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0580]
_cell_length_b [5.8150]
_cell_length_c [8.2350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5PtSe5]
_chemical_formula_sum '[Tb10 Pt2 Se10]'
_cell_volume [593.9564]
_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  0.1551  0.0000  0.8319  1.0
  Tb  Tb1  4  0.1609  0.0000  0.3314  1.0
  Tb  Tb2  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.1718  0.5000  0.8393  1.0
  Se  Se5  4  0.1778  0.5000  0.3329  1.0
  Se  Se6  2  0.0000  0.0000  0.5000  1.0
]