data_[Li16Mg4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6292]
_cell_length_b [16.0262]
_cell_length_c [4.5796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li4MgGa]
_chemical_formula_sum '[Li16 Mg4 Ga4]'
_cell_volume [413.1470]
_cell_formula_units_Z [4]
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  8  0.2229  0.4585  0.7500  1
  Li  Li1  8  0.2398  0.2926  0.7500  1
  Mg  Mg2  4  0.0000  0.1155  0.7500  1
  Ga  Ga3  4  0.0000  0.3688  0.2500  1
]