data_LaGeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   5.12
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   91.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeBr2
_chemical_formula_sum   'La1 Ge1 Br2'
_cell_volume   116.14
_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  0.94  0.0  0.81  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.56  0.4  1.0
  Br  Br1  1  0.88  0.56  0.23  1.0

data_LaGeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   5.12
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   91.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeBr2
_chemical_formula_sum   'La1 Ge1 Br2'
_cell_volume   116.14
_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  0.94  0.0  0.81  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.56  0.4  1.0
  Br  Br3  1  0.88  0.56  0.23  1.0

La Ge Br Br