data_[Li8Mg10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3851]
_cell_length_b [4.8799]
_cell_length_c [8.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Mg5]
_chemical_formula_sum '[Li8 Mg10]'
_cell_volume [368.9560]
_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  0.0461  0.5000  0.2214  1.0
  Li  Li1  4  0.1601  0.5000  0.6650  1.0
  Mg  Mg2  4  0.1230  0.0000  0.4509  1.0
  Mg  Mg3  4  0.2287  0.0000  0.8807  1.0
  Mg  Mg4  2  0.0000  0.0000  0.0000  1.0
]