data_LaGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   4.54
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Br
_chemical_formula_sum   'La1 Ga2 Br1'
_cell_volume   104.9
_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  0.29  0.27  0.23  1.0
  Ga  Ga1  1  0.36  0.27  0.42  1.0
  Ga  Ga2  1  0.61  0.0  0.3  1.0
  Br  Br0  1  0.42  0.0  0.22  1.0

data_LaGa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.54
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Br
_chemical_formula_sum   'La1 Ga2 Br1'
_cell_volume   104.9
_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  0.29  0.27  0.23  1.0
  Ga  Ga1  1  0.36  0.27  0.42  1.0
  Ga  Ga2  1  0.61  0.0  0.3  1.0
  Br  Br3  1  0.42  0.0  0.22  1.0

La Ga Ga Br