data_[Er12Bi6As2Se4]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3336]
_cell_length_b [12.7052]
_cell_length_c [7.3997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Bi3AsSe2]
_chemical_formula_sum '[Er12 Bi6 As2 Se4]'
_cell_volume [651.1967]
_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  8  0.2387  0.1631  0.2277  1.0
  Er  Er1  4  0.2494  0.0000  0.7692  1.0
  Bi  Bi2  4  0.0000  0.1695  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.5000  1.0
  As  As4  2  0.0000  0.0000  0.0000  1.0
  Se  Se5  4  0.0000  0.3342  0.0000  1.0
]