data_[La4Ge1Bi1Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5353]
_cell_length_b [4.5032]
_cell_length_c [8.0047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4GeBiBr2]
_chemical_formula_sum '[La4 Ge1 Bi1 Br2]'
_cell_volume [255.3725]
_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
[
  La  La0  2  0.2270  0.5000  0.2201  1.0
  La  La1  2  0.2413  0.0000  0.7732  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  1  0.0000  0.5000  0.5000  1.0
  Br  Br4  1  0.5000  0.0000  0.5000  1.0
  Br  Br5  1  0.5000  0.5000  0.0000  1.0
]