data_[Li3Mg7]
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 [P31m]
_cell_length_a [8.1663]
_cell_length_b [8.1663]
_cell_length_c [17.5471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Li3Mg7]
_chemical_formula_sum '[Li3 Mg7]'
_cell_volume [1013.4219]
_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  3  0.0000  0.2361  0.6001  1
  Mg  Mg1  6  0.2109  0.7841  0.4549  1
  Mg  Mg2  1  0.0000  0.0000  0.4701  1
]