data_ZrVGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.77
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   104.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVGe2
_chemical_formula_sum   'Zr1 V1 Ge2'
_cell_volume   67.7
_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
  Zr  Zr3  1  0.25  0.0  0.97  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.42  0.88  0.6  1.0
  Ge  Ge1  1  0.11  0.88  0.34  1.0

data_ZrVGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.77
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   104.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVGe2
_chemical_formula_sum   'Zr1 V1 Ge2'
_cell_volume   67.7
_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
  Zr  Zr0  1  0.25  0.0  0.97  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.11  0.88  0.34  1.0
  Ge  Ge3  1  0.42  0.88  0.6  1.0

Zr V Ge Ge
Zr V Ge Ge 0 1 o o + 2 3 o o o 