data_[Li7Mg3Ga2]
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 [P2/m]
_cell_length_a [4.6484]
_cell_length_b [3.0991]
_cell_length_c [15.9411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li7Mg3Ga2]
_chemical_formula_sum '[Li7 Mg3 Ga2]'
_cell_volume [227.5686]
_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  2  0.1031  0.5000  0.1833  1
  Li  Li1  2  0.2714  0.5000  0.5448  1
  Li  Li2  2  0.4105  0.0000  0.8487  1
  Li  Li3  1  0.0000  0.0000  0.0000  1
  Mg  Mg4  2  0.1823  0.0000  0.3576  1
  Mg  Mg5  1  0.5000  0.5000  0.0000  1
  Ga  Ga6  2  0.3490  0.5000  0.7118  1
]