data_MnCdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   125.33
_cell_angle_beta   125.33
_cell_angle_gamma   80.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdCl2
_chemical_formula_sum   'Mn1 Cd1 Cl2'
_cell_volume   86.33
_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  Cd0  1  0.0  0.0  0.9  1.0
  Cl  Cl1  1  0.0  0.35  0.95  1.0
  Cl  Cl2  1  0.35  0.0  0.95  1.0

data_MnCdCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   130.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCdCl2
_chemical_formula_sum   'Mn2 Cd2 Cl4'
_cell_volume   172.65
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.1  0.0  0.1  1.0
  Cl  Cl2  4  0.23  0.18  0.4  1.0

Mn Cd Cl Cl
Mn Cd Cl Cl 0 1 o o - 0 2 o o - 0 3 o o - 1 2 o o o 1 3 o o o 