data_GaReSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   6.92
_cell_angle_alpha   99.28
_cell_angle_beta   99.28
_cell_angle_gamma   48.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReSe2
_chemical_formula_sum   'Ga1 Re1 Se2'
_cell_volume   81.24
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.04  0.0  0.41  1.0
  Se  Se2  1  0.23  0.0  0.07  1.0
  Se  Se3  1  0.84  0.0  0.74  1.0

data_GaReSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.0
_cell_length_c   6.92
_cell_angle_alpha   99.28
_cell_angle_beta   90.0
_cell_angle_gamma   114.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReSe2
_chemical_formula_sum   'Ga1 Re1 Se2'
_cell_volume   81.24
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.96  0.59  1.0
  Se  Se2  1  0.0  0.16  0.26  1.0
  Se  Se3  1  0.0  0.77  0.93  1.0

Ga Re Se Se