data_LaVCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVCr
_chemical_formula_sum   'La1 V1 Cr1'
_cell_volume   53.97
_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  0.2  0.27  0.04  1.0
  V  V2  1  0.0  0.0  0.29  1.0
  Cr  Cr0  1  1.0  0.54  0.12  1.0

data_LaVCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVCr
_chemical_formula_sum   'La1 V1 Cr1'
_cell_volume   53.97
_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  0.04  0.2  0.27  1.0
  V  V1  1  0.29  0.0  0.0  1.0
  Cr  Cr2  1  0.12  1.0  0.54  1.0

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