data_VCu2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   29.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Ge
_chemical_formula_sum   'V1 Cu2 Ge1'
_cell_volume   52.99
_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  0.4  1.0
  Cu  Cu0  1  0.93  0.0  0.8  1.0
  Cu  Cu1  1  0.0  0.0  0.93  1.0
  Ge  Ge2  1  0.93  0.0  0.44  1.0

data_VCu2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.85
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   104.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Ge
_chemical_formula_sum   'V1 Cu2 Ge1'
_cell_volume   52.99
_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  0.6  0.0  0.6  1.0
  Cu  Cu1  1  0.07  0.0  0.07  1.0
  Cu  Cu2  1  0.2  0.93  0.2  1.0
  Ge  Ge3  1  0.56  0.93  0.56  1.0

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