data_La2VCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   4.71
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VCu
_chemical_formula_sum   'La2 V1 Cu1'
_cell_volume   90.35
_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  0.79  0.36  0.0  1.0
  La  La2  1  0.0  0.36  0.67  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.79  0.0  0.67  1.0

data_La2VCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.71
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VCu
_chemical_formula_sum   'La2 V1 Cu1'
_cell_volume   90.35
_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  0.36  0.67  1.0
  La  La1  1  0.79  0.36  0.0  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.79  0.0  0.67  1.0

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