data_MgCd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   18.5
_cell_angle_beta   18.5
_cell_angle_gamma   18.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Pt
_chemical_formula_sum   'Mg1 Cd2 Pt1'
_cell_volume   78.58
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.95  1.0
  Cd  Cd1  1  0.0  0.0  0.44  1.0
  Pt  Pt3  1  0.0  0.0  0.2  1.0

data_MgCd2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   3.1
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCd2Pt
_chemical_formula_sum   'Mg2 Cd4 Pt2'
_cell_volume   157.16
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.05  1.0
  Cd  Cd2  2  0.0  0.0  0.56  1.0
  Pt  Pt3  2  0.0  0.0  0.8  1.0

Mg Cd Cd Pt
Mg Cd Cd Pt 0 1 o o - 0 3 o o o 1 3 o o + 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 