data_MnCd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   3.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Br
_chemical_formula_sum   'Mn1 Cd2 Br1'
_cell_volume   89.92
_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  Mn3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.44  0.72  0.71  1.0
  Cd  Cd2  1  0.44  0.28  0.71  1.0
  Br  Br0  1  0.89  0.0  0.0  1.0

data_MnCd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   115.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Br
_chemical_formula_sum   'Mn1 Cd2 Br1'
_cell_volume   89.92
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.71  0.44  0.72  1.0
  Cd  Cd2  1  0.71  0.44  0.28  1.0
  Br  Br3  1  -0.0  0.89  0.0  1.0

Mn Cd Cd Br