data_[Er12Bi4As2]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4390]
_cell_length_b [8.0330]
_cell_length_c [11.7965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6Bi2As]
_chemical_formula_sum '[Er12 Bi4 As2]'
_cell_volume [521.8049]
_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  0.0932  0.1914  0.4543  1.0
  Er  Er1  4  0.3182  0.6737  0.4527  1.0
  Er  Er2  4  0.3608  0.0269  0.2323  1.0
  Bi  Bi3  4  0.1579  0.1158  0.7443  1.0
  As  As4  2  0.5000  0.0000  0.5000  1.0
]