data_VGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   142.93
_cell_angle_beta   129.19
_cell_angle_gamma   64.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGeMo2
_chemical_formula_sum   'V1 Ge1 Mo2'
_cell_volume   59.63
_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  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.28  1.0
  Mo  Mo1  1  0.0  0.17  0.21  1.0
  Mo  Mo2  1  0.61  0.0  0.06  1.0

data_VGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.34
_cell_length_c   5.06
_cell_angle_alpha   115.4
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGeMo2
_chemical_formula_sum   'V1 Ge1 Mo2'
_cell_volume   59.63
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.28  0.28  1.0
  Mo  Mo2  1  0.0  0.06  0.45  1.0
  Mo  Mo3  1  0.83  0.05  0.05  1.0

V Ge Mo Mo
V Ge Mo Mo 0 2 o o o 1 2 o o o 1 3 - o o 