data_[Li1Mg30Si1O32]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [8.5189]
_cell_length_b [8.5189]
_cell_length_c [8.5338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiMg30SiO32]
_chemical_formula_sum '[Li1 Mg30 Si1 O32]'
_cell_volume [619.3077]
_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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.0000  0.2490  0.2454  1
  Mg  Mg2  8  0.2499  0.5000  0.2485  1
  Mg  Mg3  4  0.2472  0.2472  0.0000  1
  Mg  Mg4  4  0.2507  0.2507  0.5000  1
  Mg  Mg5  2  0.0000  0.5000  0.0000  1
  Mg  Mg6  2  0.0000  0.5000  0.5000  1
  Mg  Mg7  1  0.5000  0.5000  0.0000  1
  Mg  Mg8  1  0.5000  0.5000  0.5000  1
  Si  Si9  1  0.0000  0.0000  0.5000  1
  O  O10  8  0.2491  0.2491  0.2510  1
  O  O11  4  0.0000  0.2254  0.5000  1
  O  O12  4  0.0000  0.2521  0.0000  1
  O  O13  4  0.0000  0.5000  0.2544  1
  O  O14  4  0.2470  0.5000  0.5000  1
  O  O15  4  0.2501  0.5000  0.0000  1
  O  O16  2  0.0000  0.0000  0.2846  1
  O  O17  2  0.5000  0.5000  0.2512  1
]