data_VCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   148.24
_cell_angle_beta   137.09
_cell_angle_gamma   54.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuGe
_chemical_formula_sum   'V1 Cu1 Ge1'
_cell_volume   41.26
_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  V2  1  0.0  0.0  0.92  1.0
  Cu  Cu0  1  0.0  0.0  0.03  1.0
  Ge  Ge1  1  0.0  0.0  0.72  1.0

data_VCuGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.57
_cell_length_c   4.88
_cell_angle_alpha   111.45
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuGe
_chemical_formula_sum   'V1 Cu1 Ge1'
_cell_volume   41.26
_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  0.08  0.08  0.08  1.0
  Cu  Cu1  1  0.97  0.97  0.97  1.0
  Ge  Ge2  1  0.28  0.28  0.28  1.0

V Cu Ge
V Cu Ge 0 1 o o + 0 2 o o o 