data_La2MnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   118.53
_cell_angle_beta   118.53
_cell_angle_gamma   92.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnBr2
_chemical_formula_sum   'La2 Mn1 Br2'
_cell_volume   144.18
_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  La2  1  0.0  0.99  0.02  1.0
  La  La3  1  0.99  0.0  0.02  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.64  1.0
  Br  Br1  1  0.0  0.0  0.43  1.0

data_La2MnBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.08
_cell_length_b   8.45
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   133.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2MnBr2
_chemical_formula_sum   'La4 Mn2 Br4'
_cell_volume   288.36
_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  0.47  0.49  0.98  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.07  0.5  0.57  1.0
  Br  Br3  2  0.36  0.0  0.36  1.0

La La Mn Br Br