data_[La6Ce4Er2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0409]
_cell_length_b [13.9330]
_cell_length_c [8.0487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Ce2ErBi6]
_chemical_formula_sum '[La6 Ce4 Er2 Bi12]'
_cell_volume [850.3791]
_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
[
  La  La0  4  0.0000  0.1682  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3338  0.0000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2445  0.1647  0.2398  1.0
  Bi  Bi5  4  0.2483  0.0000  0.7580  1.0
]