data_[Ba3Li2Er2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9863]
_cell_length_b [4.9863]
_cell_length_c [18.3505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Li2(ErBi2)2]
_chemical_formula_sum '[Ba3 Li2 Er2 Bi4]'
_cell_volume [395.1210]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.2555  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.3333  0.6667  0.8734  1.0
  Er  Er3  2  0.3333  0.6667  0.4411  1.0
  Bi  Bi4  2  0.3333  0.6667  0.1279  1.0
  Bi  Bi5  2  0.3333  0.6667  0.6212  1.0
]