data_[La4Ge4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8682]
_cell_length_b [7.8682]
_cell_length_c [4.4947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [La2Ge2Bi]
_chemical_formula_sum '[La4 Ge4 Bi2]'
_cell_volume [278.2640]
_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  0.1775  0.3225  0.5000  1.0
  Ge  Ge1  4  0.1161  0.6161  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
]