data_[Li2Y2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1340]
_cell_length_b [6.5828]
_cell_length_c [11.4276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiYMg6]
_chemical_formula_sum '[Li2 Y2 Mg12]'
_cell_volume [386.2061]
_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  2  0.5000  0.0000  0.6630  1.0
  Y  Y1  2  0.5000  0.0000  0.1661  1.0
  Mg  Mg2  4  0.0000  0.2421  0.5818  1.0
  Mg  Mg3  4  0.5000  0.2423  0.4199  1.0
  Mg  Mg4  2  0.0000  0.0000  0.3360  1.0
  Mg  Mg5  2  0.0000  0.0000  0.8315  1.0
]