data_[Ba8Er4In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5726]
_cell_length_b [20.5516]
_cell_length_c [14.3095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ErInTe5]
_chemical_formula_sum '[Ba8 Er4 In4 Te20]'
_cell_volume [1344.7159]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.1202  0.6814  1.0
  Ba  Ba1  4  0.0000  0.1304  0.3147  1.0
  Er  Er2  4  0.0000  0.2091  0.0182  1.0
  In  In3  4  0.0000  0.4425  0.4346  1.0
  Te  Te4  4  0.0000  0.0520  0.0535  1.0
  Te  Te5  4  0.0000  0.2918  0.6595  1.0
  Te  Te6  4  0.0000  0.3092  0.3669  1.0
  Te  Te7  4  0.0000  0.3536  0.0006  1.0
  Te  Te8  4  0.0000  0.4966  0.7625  1.0
]