data_Li2GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   43.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaSe
_chemical_formula_sum   'Li2 Ga1 Se1'
_cell_volume   73.8
_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  0.0  0.0  0.77  1.0
  Li  Li2  1  0.94  0.0  0.48  1.0
  Ga  Ga0  1  0.0  0.0  0.07  1.0
  Se  Se3  1  0.94  0.0  0.22  1.0

data_Li2GaSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.88
_cell_length_c   5.28
_cell_angle_alpha   111.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaSe
_chemical_formula_sum   'Li2 Ga1 Se1'
_cell_volume   73.8
_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  0.77  0.77  1.0
  Li  Li1  1  0.06  0.48  0.48  1.0
  Ga  Ga2  1  0.0  0.07  0.07  1.0
  Se  Se3  1  0.06  0.22  0.22  1.0

Li Li Ga Se
Li Li Ga Se 0 1 - o o 0 2 o o + 1 3 o o o 2 3 - o o 