data_Mn2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   146.86
_cell_angle_beta   120.32
_cell_angle_gamma   69.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdBr
_chemical_formula_sum   'Mn2 Cd1 Br1'
_cell_volume   81.97
_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  0.0  0.79  0.39  1.0
  Mn  Mn3  1  0.6  0.0  0.21  1.0
  Cd  Cd1  1  0.0  0.0  0.59  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   3.2
_cell_length_b   5.58
_cell_length_c   5.61
_cell_angle_alpha   119.84
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdBr
_chemical_formula_sum   'Mn2 Cd1 Br1'
_cell_volume   81.97
_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  0.39  0.79  0.39  1.0
  Mn  Mn1  1  0.61  0.4  0.4  1.0
  Cd  Cd2  1  0.41  0.41  0.41  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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