data_MnCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   121.45
_cell_angle_beta   121.45
_cell_angle_gamma   87.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Cd
_chemical_formula_sum   'Mn1 Cr2 Cd1'
_cell_volume   61.15
_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  0.22  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.18  0.0  0.61  1.0
  Cd  Cd0  1  0.0  0.18  0.61  1.0

data_MnCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.46
_cell_angle_alpha   119.28
_cell_angle_beta   119.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Cd
_chemical_formula_sum   'Mn1 Cr2 Cd1'
_cell_volume   61.15
_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  0.78  0.0  0.78  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.39  0.0  0.57  1.0
  Cd  Cd3  1  0.57  0.18  0.57  1.0

Mn Cr Cr Cd