data_Mn2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   6.32
_cell_angle_alpha   112.6
_cell_angle_beta   112.6
_cell_angle_gamma   37.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdBr
_chemical_formula_sum   'Mn2 Cd1 Br1'
_cell_volume   87.05
_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  Mn2  1  0.89  0.0  0.96  1.0
  Mn  Mn3  1  0.02  0.0  0.82  1.0
  Cd  Cd1  1  0.45  0.0  0.89  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Mn2CdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.99
_cell_length_c   6.32
_cell_angle_alpha   112.6
_cell_angle_beta   90.0
_cell_angle_gamma   108.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdBr
_chemical_formula_sum   'Mn2 Cd1 Br1'
_cell_volume   87.05
_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  0.0  0.11  0.04  1.0
  Mn  Mn1  1  0.0  0.98  0.18  1.0
  Cd  Cd2  1  0.0  0.55  0.11  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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