data_VGeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   156.08
_cell_angle_beta   156.08
_cell_angle_gamma   34.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGeSe
_chemical_formula_sum   'V1 Ge1 Se1'
_cell_volume   61.98
_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  V2  1  0.0  0.0  0.41  1.0
  Ge  Ge0  1  0.0  0.0  0.25  1.0
  Se  Se1  1  0.0  0.0  0.98  1.0

data_VGeSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VGeSe
_chemical_formula_sum   'V2 Ge2 Se2'
_cell_volume   123.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.59  1.0
  Ge  Ge1  2  0.0  0.0  0.75  1.0
  Se  Se2  2  0.0  0.0  0.02  1.0

V Ge Se
V Ge Se 0 1 o o o 1 2 o o - 