data_[Er8Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1565]
_cell_length_b [6.1565]
_cell_length_c [12.3057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er4BiTe3]
_chemical_formula_sum '[Er8 Bi2 Te6]'
_cell_volume [466.4116]
_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
[
  Er  Er0  4  0.0000  0.0000  0.2481  1.0
  Er  Er1  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  4  0.0000  0.5000  0.2500  1.0
  Te  Te4  2  0.0000  0.0000  0.0000  1.0
]