data_[Li3Yb3Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Yb  1.1000  1.7500  1.0840
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3785]
_cell_length_b [5.3785]
_cell_length_c [9.6320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiYbMg]
_chemical_formula_sum '[Li3 Yb3 Mg3]'
_cell_volume [241.3085]
_cell_formula_units_Z [3]
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  0.6667  0.3333  0.3616  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Yb  Yb2  2  0.0000  0.0000  0.3185  1
  Yb  Yb3  1  0.6667  0.3333  0.0000  1
  Mg  Mg4  2  0.3333  0.6667  0.1631  1
  Mg  Mg5  1  0.3333  0.6667  0.5000  1
]