data_BaV2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   3.17
_cell_angle_alpha   105.26
_cell_angle_beta   105.26
_cell_angle_gamma   112.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Ge
_chemical_formula_sum   'Ba1 V2 Ge1'
_cell_volume   88.25
_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  0.24  0.0  0.0  1.0
  V  V2  1  0.87  0.44  0.4  1.0
  V  V3  1  0.87  0.56  0.4  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   3.17
_cell_length_b   5.71
_cell_length_c   5.85
_cell_angle_alpha   118.89
_cell_angle_beta   105.26
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Ge
_chemical_formula_sum   'Ba1 V2 Ge1'
_cell_volume   88.25
_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  0.0  0.24  1.0
  V  V1  1  0.83  0.44  0.3  1.0
  V  V2  1  0.96  0.56  0.43  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ba V V Ge