data_[Sr12Li8Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8970]
_cell_length_b [12.7025]
_cell_length_c [16.5881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Li2Bi3]
_chemical_formula_sum '[Sr12 Li8 Bi12]'
_cell_volume [1031.8526]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  8  0.0000  0.0810  0.6042  1.0
  Sr  Sr1  4  0.0000  0.3529  0.7500  1.0
  Li  Li2  8  0.0000  0.2256  0.0882  1.0
  Bi  Bi3  8  0.0000  0.3789  0.5472  1.0
  Bi  Bi4  4  0.0000  0.3425  0.2500  1.0
]