data_Ca2VCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   35.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2VCd
_chemical_formula_sum   'Ca2 V1 Cd1'
_cell_volume   115.99
_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
  Ca  Ca0  1  0.46  0.0  0.28  1.0
  Ca  Ca1  1  0.0  0.0  0.68  1.0
  V  V3  1  0.0  0.0  0.27  1.0
  Cd  Cd2  1  0.46  0.0  0.7  1.0

data_Ca2VCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.92
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2VCd
_chemical_formula_sum   'Ca2 V1 Cd1'
_cell_volume   115.99
_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
  Ca  Ca0  1  0.32  0.0  0.32  1.0
  Ca  Ca1  1  0.72  0.46  0.72  1.0
  V  V2  1  0.73  0.0  0.73  1.0
  Cd  Cd3  1  0.3  0.46  0.3  1.0

Ca Ca V Cd