data_LaVCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   150.37
_cell_angle_beta   134.91
_cell_angle_gamma   54.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVCd2
_chemical_formula_sum   'La1 V1 Cd2'
_cell_volume   88.87
_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  La2  1  0.0  0.0  0.63  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.43  0.21  1.0
  Cd  Cd1  1  0.62  0.0  0.42  1.0

data_LaVCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.86
_cell_length_c   6.34
_cell_angle_alpha   112.54
_cell_angle_beta   104.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVCd2
_chemical_formula_sum   'La1 V1 Cd2'
_cell_volume   88.87
_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  0.63  0.63  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.42  0.8  1.0
  Cd  Cd3  1  0.57  0.78  0.78  1.0

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