data_MnCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   133.43
_cell_angle_beta   133.43
_cell_angle_gamma   67.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Cd
_chemical_formula_sum   'Mn1 Cr2 Cd1'
_cell_volume   53.19
_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
  Cr  Cr1  1  0.0  0.85  0.94  1.0
  Cr  Cr2  1  0.85  0.0  0.94  1.0
  Cd  Cd0  1  0.0  0.0  0.88  1.0

data_MnCr2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   123.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCr2Cd
_chemical_formula_sum   'Mn2 Cr4 Cd2'
_cell_volume   106.37
_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
  Cr  Cr1  4  0.07  0.07  0.09  1.0
  Cd  Cd2  2  0.0  0.0  0.88  1.0

Mn Cr Cr Cd