data_GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   24.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSe
_chemical_formula_sum   'Ga2 Se2'
_cell_volume   309.89
_cell_formula_units_Z   2
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  0.33  0.67  0.05  1.0
  Ga  Ga1  1  0.33  0.67  0.15  1.0
  Se  Se2  1  0.0  0.0  0.19  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ga Ga Se Se 0 3 o o o 0 3 o + o 0 3 + + o 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + + o 
data_GaSe
_symmetry_space_group_name_H-M   P-6m2
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   24.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   187
_chemical_formula_structural   GaSe
_chemical_formula_sum   'Ga2 Se2'
_cell_volume   309.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+y, -x, -z'
  3  '-y, x-y, z'
  4  'x, y, -z'
  5  '-x+y, -x, z'
  6  '-y, x-y, -z'
  7  '-y, -x, -z'
  8  'x, x-y, z'
  9  '-x+y, y, -z'
  10  '-y, -x, z'
  11  'x, x-y, -z'
  12  '-x+y, 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  2  0.33  0.67  0.95  1.0
  Se  Se1  2  0.0  0.0  0.1  1.0
