data_V2GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GaSe
_chemical_formula_sum   'V2 Ga1 Se1'
_cell_volume   58.73
_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  0.21  0.0  0.5  1.0
  V  V3  1  0.0  0.21  0.5  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.21  0.21  0.0  1.0

data_V2GaSe
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.01
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   V2GaSe
_chemical_formula_sum   'V4 Ga2 Se2'
_cell_volume   117.46
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.11  0.11  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.21  1.0

V V Ga Se
V V Ga Se 0 1 o o o 2 3 o o o 