data_MnCd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.08
_cell_angle_alpha   101.02
_cell_angle_beta   101.02
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Pt
_chemical_formula_sum   'Mn1 Cd2 Pt1'
_cell_volume   70.98
_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  Mn2  1  0.22  0.0  0.39  1.0
  Cd  Cd0  1  0.07  0.0  0.03  1.0
  Cd  Cd1  1  0.59  0.0  0.7  1.0
  Pt  Pt3  1  0.05  0.0  0.34  1.0

data_MnCd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.04
_cell_length_c   5.08
_cell_angle_alpha   101.02
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Pt
_chemical_formula_sum   'Mn1 Cd2 Pt1'
_cell_volume   70.98
_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  0.78  0.61  1.0
  Cd  Cd1  1  0.0  0.41  0.3  1.0
  Cd  Cd2  1  0.0  0.93  0.97  1.0
  Pt  Pt3  1  0.0  0.95  0.66  1.0

Mn Cd Cd Pt
Mn Cd Cd Pt 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 