data_LaGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.07
_cell_angle_alpha   113.0
_cell_angle_beta   113.0
_cell_angle_gamma   40.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeBi2
_chemical_formula_sum   'La1 Ge1 Bi2'
_cell_volume   117.04
_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  La3  1  0.42  0.0  0.12  1.0
  Ge  Ge2  1  0.76  0.0  0.58  1.0
  Bi  Bi0  1  0.64  0.0  0.49  1.0
  Bi  Bi1  1  0.29  0.0  0.34  1.0

data_LaGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   5.07
_cell_length_c   6.26
_cell_angle_alpha   113.0
_cell_angle_beta   110.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeBi2
_chemical_formula_sum   'La1 Ge1 Bi2'
_cell_volume   117.04
_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  1  0.0  0.12  0.42  1.0
  Ge  Ge1  1  0.0  0.58  0.76  1.0
  Bi  Bi2  1  0.0  0.34  0.29  1.0
  Bi  Bi3  1  0.0  0.49  0.64  1.0

La Ge Bi Bi
La Ge Bi Bi 0 3 o o o 0 2 o o o 1 2 o o o 