data_[Er12In2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2997]
_cell_length_b [8.3181]
_cell_length_c [11.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6InBi2]
_chemical_formula_sum '[Er12 In2 Bi4]'
_cell_volume [537.9828]
_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  0.0770  0.0461  0.2277  1
  Er  Er1  4  0.1643  0.7130  0.0509  1
  Er  Er2  4  0.4042  0.1543  0.0388  1
  In  In3  2  0.5000  0.0000  0.5000  1
  Bi  Bi4  4  0.3453  0.1089  0.7336  1
]