data_MgV2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.28
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Ge
_chemical_formula_sum   'Mg1 V2 Ge1'
_cell_volume   60.68
_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
  Mg  Mg1  1  0.34  0.0  0.91  1.0
  V  V2  1  0.63  0.14  0.02  1.0
  V  V3  1  0.01  0.0  0.31  1.0
  Ge  Ge0  1  0.9  0.14  0.37  1.0

data_MgV2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.28
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Ge
_chemical_formula_sum   'Mg1 V2 Ge1'
_cell_volume   60.68
_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
  Mg  Mg0  1  0.34  0.0  0.91  1.0
  V  V1  1  0.01  0.0  0.31  1.0
  V  V2  1  0.63  0.14  0.02  1.0
  Ge  Ge3  1  0.9  0.14  0.37  1.0

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