data_[Li1Zr1Ga1I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6203]
_cell_length_b [4.6203]
_cell_length_c [5.9573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiZrGaI]
_chemical_formula_sum '[Li1 Zr1 Ga1 I1]'
_cell_volume [110.1359]
_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  0.6667  0.3333  0.5588  1
  Zr  Zr1  1  0.3333  0.6667  0.2785  1
  Ga  Ga2  1  0.0000  0.0000  0.3593  1
  I  I3  1  0.3333  0.6667  0.7997  1
]