data_[Li6Y6Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.8862]
_cell_length_b [4.4626]
_cell_length_c [6.8360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LiYGa]
_chemical_formula_sum '[Li6 Y6 Ga6]'
_cell_volume [393.1041]
_cell_formula_units_Z [6]
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  4  0.1356  0.5000  0.4436  1.0
  Li  Li1  2  0.2500  0.5000  0.7955  1.0
  Y  Y2  4  0.0378  0.0000  0.7701  1.0
  Y  Y3  2  0.2500  0.0000  0.1343  1.0
  Ga  Ga4  4  0.0951  0.5000  0.0556  1.0
  Ga  Ga5  2  0.2500  0.0000  0.5790  1.0
]