data_Mn2SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.49
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbBr
_chemical_formula_sum   'Mn2 Sb1 Br1'
_cell_volume   88.78
_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
  Mn  Mn1  1  0.64  0.75  0.11  1.0
  Mn  Mn2  1  0.98  0.75  0.76  1.0
  Sb  Sb3  1  0.81  0.0  0.44  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Mn2SbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.7
_cell_length_c   6.87
_cell_angle_alpha   90.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbBr
_chemical_formula_sum   'Mn2 Sb1 Br1'
_cell_volume   88.78
_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
  Mn  Mn0  1  0.25  0.02  0.24  1.0
  Mn  Mn1  1  0.25  0.36  0.89  1.0
  Sb  Sb2  1  0.0  0.19  0.56  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Mn Mn Sb Br