data_[Tb10Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0751]
_cell_length_b [12.2940]
_cell_length_c [7.0591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5ErSe6]
_chemical_formula_sum '[Tb10 Er2 Se12]'
_cell_volume [578.2903]
_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  0.1696  0.5000  1
  Tb  Tb1  4  0.0000  0.3326  0.0000  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2473  0.1645  0.2475  1
  Se  Se5  4  0.2465  0.0000  0.7506  1
]