data_La2VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   147.52
_cell_angle_beta   131.51
_cell_angle_gamma   59.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VCr
_chemical_formula_sum   'La2 V1 Cr1'
_cell_volume   93.46
_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  0.0  0.0  0.18  1.0
  La  La2  1  0.0  0.53  0.58  1.0
  V  V3  1  0.0  0.0  0.73  1.0
  Cr  Cr0  1  0.72  0.0  0.22  1.0

data_La2VCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.06
_cell_length_c   6.17
_cell_angle_alpha   114.24
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VCr
_chemical_formula_sum   'La2 V1 Cr1'
_cell_volume   93.46
_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  0.18  0.18  1.0
  La  La1  1  0.47  0.04  0.04  1.0
  V  V2  1  0.0  0.73  0.73  1.0
  Cr  Cr3  1  0.0  0.22  0.49  1.0

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