data_MgVCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   146.92
_cell_angle_beta   128.95
_cell_angle_gamma   62.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVCd
_chemical_formula_sum   'Mg1 V1 Cd1'
_cell_volume   57.61
_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  Mg1  1  0.0  0.0  0.9  1.0
  V  V2  1  0.0  0.0  0.97  1.0
  Cd  Cd0  1  0.0  0.0  0.8  1.0

data_MgVCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.44
_cell_length_c   5.16
_cell_angle_alpha   115.53
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVCd
_chemical_formula_sum   'Mg1 V1 Cd1'
_cell_volume   57.61
_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  0.1  0.1  0.1  1.0
  V  V1  1  0.03  0.03  0.03  1.0
  Cd  Cd2  1  0.2  0.2  0.2  1.0

Mg V Cd
Mg V Cd 0 1 o o o 0 2 o o o 