data_Mg2VCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.29
_cell_angle_alpha   99.46
_cell_angle_beta   99.46
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VCd
_chemical_formula_sum   'Mg2 V1 Cd1'
_cell_volume   79.67
_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  0.01  0.0  0.0  1.0
  Mg  Mg2  1  0.83  0.0  0.89  1.0
  V  V3  1  0.58  0.0  0.61  1.0
  Cd  Cd0  1  0.33  0.0  0.32  1.0

data_Mg2VCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.26
_cell_length_c   5.29
_cell_angle_alpha   99.46
_cell_angle_beta   90.0
_cell_angle_gamma   106.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VCd
_chemical_formula_sum   'Mg2 V1 Cd1'
_cell_volume   79.67
_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  0.17  0.11  1.0
  Mg  Mg1  1  0.0  0.99  1.0  1.0
  V  V2  1  0.0  0.42  0.39  1.0
  Cd  Cd3  1  0.0  0.67  0.68  1.0

Mg Mg V Cd