data_LaV2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.74
_cell_angle_alpha   100.1
_cell_angle_beta   100.1
_cell_angle_gamma   34.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Cd
_chemical_formula_sum   'La1 V2 Cd1'
_cell_volume   86.85
_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
  La  La1  1  0.47  0.0  0.82  1.0
  V  V2  1  0.19  0.0  0.86  1.0
  V  V3  1  0.74  0.0  0.78  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_LaV2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.22
_cell_length_c   5.74
_cell_angle_alpha   100.1
_cell_angle_beta   90.0
_cell_angle_gamma   107.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Cd
_chemical_formula_sum   'La1 V2 Cd1'
_cell_volume   86.85
_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
  La  La0  1  0.0  0.53  0.18  1.0
  V  V1  1  0.0  0.26  0.22  1.0
  V  V2  1  0.0  0.81  0.14  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

La V V Cd
La V V Cd 0 1 o o o 0 2 o o o 1 3 o o + 2 3 + o + 