data_[Er12Bi2Te6As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7005]
_cell_length_b [4.2298]
_cell_length_c [8.6018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6BiTe3As2]
_chemical_formula_sum '[Er12 Bi2 Te6 As4]'
_cell_volume [660.2403]
_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  0.0139  0.0000  0.2578  1.0
  Er  Er1  4  0.1712  0.5000  0.1159  1.0
  Er  Er2  4  0.1758  0.5000  0.5679  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1616  0.0000  0.8340  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  4  0.1688  0.0000  0.3377  1.0
]