data_[Li10Mg10Ga4]
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 [C2/m]
_cell_length_a [13.8976]
_cell_length_b [4.7291]
_cell_length_c [8.2563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Mg5Ga2]
_chemical_formula_sum '[Li10 Mg10 Ga4]'
_cell_volume [452.5046]
_cell_formula_units_Z [2]
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  0.0697  0.0000  0.3921  1.0
  Li  Li1  4  0.2449  0.0000  0.2108  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  4  0.0975  0.5000  0.9264  1.0
  Mg  Mg4  4  0.1808  0.5000  0.3521  1.0
  Mg  Mg5  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga6  4  0.1541  0.0000  0.7870  1.0
]