data_[Li1Mg3Ga4]
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 [P4/mmm]
_cell_length_a [3.3528]
_cell_length_b [3.3528]
_cell_length_c [13.1179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiMg3Ga4]
_chemical_formula_sum '[Li1 Mg3 Ga4]'
_cell_volume [147.4608]
_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  0.5000  0.5000  0.0000  1
  Mg  Mg1  2  0.5000  0.5000  0.2389  1
  Mg  Mg2  1  0.5000  0.5000  0.5000  1
  Ga  Ga3  2  0.0000  0.0000  0.1091  1
  Ga  Ga4  2  0.0000  0.0000  0.3694  1
]