data_[Er12Bi4Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4521]
_cell_length_b [4.2274]
_cell_length_c [8.4581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Bi2SbSe3]
_chemical_formula_sum '[Er12 Bi4 Sb2 Se6]'
_cell_volume [641.7079]
_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  0.0049  0.0000  0.7459  1.0
  Er  Er1  4  0.1610  0.5000  0.5962  1.0
  Er  Er2  4  0.1688  0.5000  0.0712  1.0
  Bi  Bi3  4  0.1670  0.0000  0.3350  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1674  0.0000  0.8349  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]