data_VCr2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   4.07
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   104.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ge
_chemical_formula_sum   'V1 Cr2 Ge1'
_cell_volume   51.0
_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  0.65  0.0  0.61  1.0
  Cr  Cr0  1  0.53  0.03  0.06  1.0
  Cr  Cr1  1  0.69  0.0  0.13  1.0
  Ge  Ge2  1  0.85  0.03  0.39  1.0

data_VCr2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.07
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   104.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ge
_chemical_formula_sum   'V1 Cr2 Ge1'
_cell_volume   51.0
_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  0.65  0.0  0.61  1.0
  Cr  Cr1  1  0.53  0.03  0.06  1.0
  Cr  Cr2  1  0.69  0.0  0.13  1.0
  Ge  Ge3  1  0.85  0.03  0.39  1.0

V Cr Cr Ge
V Cr Cr Ge 0 3 o o o 1 2 o o o 2 3 o o o 