data_BaV2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.55
_cell_angle_alpha   102.62
_cell_angle_beta   102.62
_cell_angle_gamma   52.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Ge
_chemical_formula_sum   'Ba1 V2 Ge1'
_cell_volume   98.48
_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
  Ba  Ba0  1  0.16  0.0  0.18  1.0
  V  V2  1  0.9  0.0  0.79  1.0
  V  V3  1  0.41  0.0  0.56  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_BaV2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.41
_cell_length_c   6.55
_cell_angle_alpha   102.62
_cell_angle_beta   90.0
_cell_angle_gamma   116.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Ge
_chemical_formula_sum   'Ba1 V2 Ge1'
_cell_volume   98.48
_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
  Ba  Ba0  1  0.0  0.84  0.82  1.0
  V  V1  1  0.0  0.1  0.21  1.0
  V  V2  1  0.0  0.59  0.44  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ba V V Ge