data_Li2VCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.41
_cell_length_b   4.1
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VCu
_chemical_formula_sum   'Li2 V1 Cu1'
_cell_volume   54.19
_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
  Li  Li1  1  0.4  0.0  0.03  1.0
  Li  Li2  1  0.92  0.05  0.26  1.0
  V  V3  1  0.92  0.0  0.93  1.0
  Cu  Cu0  1  0.68  0.05  0.99  1.0

data_Li2VCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.41
_cell_length_b   4.1
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VCu
_chemical_formula_sum   'Li2 V1 Cu1'
_cell_volume   54.19
_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
  Li  Li0  1  0.4  0.0  0.03  1.0
  Li  Li1  1  0.92  0.05  0.26  1.0
  V  V2  1  0.92  0.0  0.93  1.0
  Cu  Cu3  1  0.68  0.05  0.99  1.0

Li Li V Cu
Li Li V Cu 0 3 o o - 0 1 o o o 0 1 - o o 1 3 o o - 1 2 o o - 2 3 o o o 