data_[Tb6Sm4Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  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 [17.9405]
_cell_length_b [4.0937]
_cell_length_c [8.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Sm2ErSe6]
_chemical_formula_sum '[Tb6 Sm4 Er2 Se12]'
_cell_volume [589.5394]
_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  0.1702  0.0000  0.8329  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.1688  0.0000  0.3366  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0023  0.0000  0.7556  1.0
  Se  Se5  4  0.1635  0.5000  0.0768  1.0
  Se  Se6  4  0.1641  0.5000  0.5868  1.0
]