data_[Tb4Pr2Er6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  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 [7.0816]
_cell_length_b [12.2401]
_cell_length_c [7.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Pr(ErSe2)3]
_chemical_formula_sum '[Tb4 Pr2 Er6 Se12]'
_cell_volume [581.5712]
_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  0.3344  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Er  Er2  4  0.0000  0.1605  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2411  0.3281  0.7378  1.0
  Se  Se5  4  0.2434  0.5000  0.2576  1.0
]