data_MnCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   153.49
_cell_angle_beta   142.88
_cell_angle_gamma   46.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdSb2
_chemical_formula_sum   'Mn1 Cd1 Sb2'
_cell_volume   93.94
_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  0.0  0.0  0.93  1.0
  Cd  Cd0  1  0.0  0.24  0.78  1.0
  Sb  Sb2  1  0.0  0.24  0.72  1.0
  Sb  Sb3  1  0.0  0.0  0.01  1.0

data_MnCdSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.49
_cell_length_c   7.05
_cell_angle_alpha   108.56
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdSb2
_chemical_formula_sum   'Mn1 Cd1 Sb2'
_cell_volume   93.94
_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  0.93  0.93  1.0
  Cd  Cd1  1  0.76  0.54  0.54  1.0
  Sb  Sb2  1  0.0  0.01  0.01  1.0
  Sb  Sb3  1  0.76  0.48  0.48  1.0

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