data_[La4Ge1Bi2Se1]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8399]
_cell_length_b [4.5381]
_cell_length_c [7.9135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4GeBi2Se]
_chemical_formula_sum '[La4 Ge1 Bi2 Se1]'
_cell_volume [265.7542]
_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  0.2512  0.0000  0.7339  1
  La  La1  2  0.2599  0.5000  0.2685  1
  Ge  Ge2  1  0.5000  0.0000  0.5000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  Bi  Bi4  1  0.5000  0.5000  0.0000  1
  Se  Se5  1  0.0000  0.5000  0.5000  1
]