data_VGe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   143.77
_cell_angle_beta   121.55
_cell_angle_gamma   70.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGe2Se
_chemical_formula_sum   'V1 Ge2 Se1'
_cell_volume   70.44
_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  0.23  1.0
  Ge  Ge0  1  0.62  0.0  0.03  1.0
  Ge  Ge1  1  0.0  0.0  0.44  1.0
  Se  Se2  1  0.62  0.0  0.07  1.0

data_VGe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.1
_cell_length_c   5.22
_cell_angle_alpha   119.22
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGe2Se
_chemical_formula_sum   'V1 Ge2 Se1'
_cell_volume   70.44
_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  0.23  0.23  1.0
  Ge  Ge1  1  0.0  0.03  0.41  1.0
  Ge  Ge2  1  0.0  0.44  0.44  1.0
  Se  Se3  1  0.0  0.07  0.45  1.0

V Ge Ge Se