data_La2MnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   124.43
_cell_angle_beta   124.43
_cell_angle_gamma   82.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnBr
_chemical_formula_sum   'La2 Mn1 Br1'
_cell_volume   109.96
_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  La1  1  0.0  0.57  0.08  1.0
  La  La2  1  0.57  0.0  0.08  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.15  1.0

data_La2MnBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   131.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2MnBr
_chemical_formula_sum   'La4 Mn2 Br2'
_cell_volume   219.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.21  0.21  0.5  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.15  1.0

La La Mn Br
La La Mn Br 0 3 o + o 1 3 + o o 2 3 o o o 