data_LaBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   150.39
_cell_angle_beta   138.71
_cell_angle_gamma   51.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBr3
_chemical_formula_sum   'La1 Br3'
_cell_volume   148.89
_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  0.0  0.0  0.94  1.0
  Br  Br0  1  0.97  0.0  0.73  1.0
  Br  Br1  1  0.0  0.72  0.22  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_LaBr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.44
_cell_length_c   7.71
_cell_angle_alpha   110.65
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBr3
_chemical_formula_sum   'La1 Br3'
_cell_volume   148.89
_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  0.94  0.94  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.73  0.75  1.0
  Br  Br3  1  0.28  0.5  0.5  1.0

La Br Br Br