data_MgCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37
_cell_length_b   9.37
_cell_length_c   9.37
_cell_angle_alpha   17.3
_cell_angle_beta   17.3
_cell_angle_gamma   17.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdFe2
_chemical_formula_sum   'Mg1 Cd1 Fe2'
_cell_volume   63.45
_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  Mg3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.84  1.0
  Fe  Fe1  1  0.0  0.0  0.97  1.0
  Fe  Fe2  1  0.0  0.0  0.71  1.0

data_MgCdFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   2.82
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   100.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCdFe2
_chemical_formula_sum   'Mg2 Cd2 Fe4'
_cell_volume   126.89
_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  0.16  1.0
  Fe  Fe2  2  -0.0  0.0  0.03  1.0
  Fe  Fe3  2  0.0  0.0  0.29  1.0

Mg Cd Fe Fe
Mg Cd Fe Fe 0 2 o o - 1 3 o o o 1 2 o o o 