data_VInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   145.47
_cell_angle_beta   128.99
_cell_angle_gamma   63.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInCu2
_chemical_formula_sum   'V1 In1 Cu2'
_cell_volume   60.56
_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
  V  V3  1  0.0  0.0  0.73  1.0
  In  In2  1  0.54  0.0  0.31  1.0
  Cu  Cu0  1  0.54  0.0  0.12  1.0
  Cu  Cu1  1  0.0  0.0  0.09  1.0

data_VInCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.46
_cell_length_c   5.18
_cell_angle_alpha   115.5
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInCu2
_chemical_formula_sum   'V1 In1 Cu2'
_cell_volume   60.56
_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
  V  V0  1  0.27  0.27  0.27  1.0
  In  In1  1  0.23  0.69  0.23  1.0
  Cu  Cu2  1  0.42  0.88  0.42  1.0
  Cu  Cu3  1  0.91  0.91  0.91  1.0

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