data_MgCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   4.62
_cell_angle_alpha   113.13
_cell_angle_beta   113.13
_cell_angle_gamma   33.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Co
_chemical_formula_sum   'Mg1 Cd2 Co1'
_cell_volume   71.22
_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  0.93  0.0  0.01  1.0
  Cd  Cd0  1  0.02  0.0  0.02  1.0
  Cd  Cd1  1  0.66  0.0  0.17  1.0
  Co  Co2  1  0.33  0.0  0.12  1.0

data_MgCd2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.62
_cell_length_c   5.5
_cell_angle_alpha   113.13
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Co
_chemical_formula_sum   'Mg1 Cd2 Co1'
_cell_volume   71.22
_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  Mg0  1  0.0  0.01  0.93  1.0
  Cd  Cd1  1  0.0  0.02  0.02  1.0
  Cd  Cd2  1  0.0  0.17  0.66  1.0
  Co  Co3  1  0.0  0.12  0.33  1.0

Mg Cd Cd Co
Mg Cd Cd Co 0 1 + o o 0 2 o o o 1 3 o o o 2 3 o o o 