data_[Er12Bi6Sb2As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8031]
_cell_length_b [4.2789]
_cell_length_c [8.6982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Bi3SbAs2]
_chemical_formula_sum '[Er12 Bi6 Sb2 As4]'
_cell_volume [679.5135]
_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  0.0085  0.0000  0.2507  1.0
  Er  Er1  4  0.1682  0.5000  0.1012  1.0
  Er  Er2  4  0.1728  0.5000  0.5701  1.0
  Bi  Bi3  4  0.1634  0.0000  0.8313  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
  As  As6  4  0.1682  0.0000  0.3352  1.0
]