data_[Li3Pr3Ga3Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4300]
_cell_length_b [4.4300]
_cell_length_c [14.2535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiPrGaIr]
_chemical_formula_sum '[Li3 Pr3 Ga3 Ir3]'
_cell_volume [242.2489]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1741  1.0
  Pr  Pr1  3  0.0000  0.0000  0.3738  1.0
  Ga  Ga2  3  0.0000  0.0000  0.8999  1.0
  Ir  Ir3  3  0.0000  0.0000  0.5866  1.0
]