data_GaFeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   146.4
_cell_angle_beta   146.4
_cell_angle_gamma   48.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeSe2
_chemical_formula_sum   'Ga1 Fe1 Se2'
_cell_volume   77.18
_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  Ga1  1  0.83  0.0  0.89  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.77  1.0
  Se  Se3  1  0.0  0.83  0.89  1.0

data_GaFeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   6.33
_cell_angle_alpha   106.8
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeSe2
_chemical_formula_sum   'Ga1 Fe1 Se2'
_cell_volume   77.18
_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  0.89  0.06  0.06  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.06  0.89  0.06  1.0
  Se  Se3  1  0.77  0.77  0.77  1.0

Ga Fe Se Se