data_GaSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.9
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   93.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiSe2
_chemical_formula_sum   'Ga1 Si1 Se2'
_cell_volume   79.11
_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
  Ga  Ga0  1  0.74  0.0  0.74  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.25  0.95  0.74  1.0
  Se  Se2  1  0.94  0.95  0.73  1.0

data_GaSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.9
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   93.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiSe2
_chemical_formula_sum   'Ga1 Si1 Se2'
_cell_volume   79.11
_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
  Ga  Ga0  1  0.74  0.0  0.74  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.25  0.95  0.74  1.0
  Se  Se3  1  0.94  0.95  0.73  1.0

Ga Si Se Se