data_Li2GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.72
_cell_angle_alpha   102.66
_cell_angle_beta   102.66
_cell_angle_gamma   54.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaSe
_chemical_formula_sum   'Li2 Ga1 Se1'
_cell_volume   78.01
_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
  Li  Li1  1  0.66  0.0  0.75  1.0
  Li  Li2  1  0.33  0.0  0.79  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  1.0  0.0  0.77  1.0

data_Li2GaSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.16
_cell_length_c   5.72
_cell_angle_alpha   102.66
_cell_angle_beta   90.0
_cell_angle_gamma   117.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaSe
_chemical_formula_sum   'Li2 Ga1 Se1'
_cell_volume   78.01
_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
  Li  Li0  1  0.0  0.34  0.25  1.0
  Li  Li1  1  0.0  0.67  0.21  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.23  1.0

Li Li Ga Se