data_LiGaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.11
_cell_length_c   3.12
_cell_angle_alpha   77.56
_cell_angle_beta   73.2
_cell_angle_gamma   29.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaAs
_chemical_formula_sum   'Li1 Ga1 As1'
_cell_volume   55.45
_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  Li2  1  0.03  0.37  0.94  1.0
  Ga  Ga1  1  0.03  0.37  0.59  1.0
  As  As0  1  0.03  0.37  0.0  1.0

data_LiGaAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   11.54
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   130.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGaAs
_chemical_formula_sum   'Li2 Ga2 As2'
_cell_volume   110.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.16  0.5  0.03  1.0
  Ga  Ga1  2  0.01  0.0  0.39  1.0
  As  As2  2  0.1  0.5  0.97  1.0

Li Ga As