data_LiZrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.06
_cell_angle_alpha   106.46
_cell_angle_beta   106.46
_cell_angle_gamma   30.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrGa2
_chemical_formula_sum   'Li1 Zr1 Ga2'
_cell_volume   73.55
_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  0.64  0.0  0.75  1.0
  Zr  Zr3  1  0.45  0.0  0.84  1.0
  Ga  Ga0  1  0.28  0.0  0.31  1.0
  Ga  Ga1  1  0.84  0.0  0.36  1.0

data_LiZrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.06
_cell_length_c   5.48
_cell_angle_alpha   106.46
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrGa2
_chemical_formula_sum   'Li1 Zr1 Ga2'
_cell_volume   73.55
_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  0.75  0.64  1.0
  Zr  Zr1  1  0.0  0.84  0.45  1.0
  Ga  Ga2  1  0.0  0.31  0.28  1.0
  Ga  Ga3  1  0.0  0.36  0.84  1.0

Li Zr Ga Ga