data_[Mg2Ti4Si8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.9480]
_cell_length_b [8.7843]
_cell_length_c [5.3560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MgTi2(SiO3)4]
_chemical_formula_sum '[Mg2 Ti4 Si8 O24]'
_cell_volume [438.9035]
_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
[
  Mg  Mg0  2  0.0000  0.2772  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0810  0.5000  1.0
  Ti  Ti2  2  0.0000  0.8994  0.0000  1.0
  Si  Si3  4  0.2022  0.4106  0.4787  1.0
  Si  Si4  4  0.2025  0.5916  0.9721  1.0
  O  O5  4  0.1185  0.2483  0.4073  1.0
  O  O6  4  0.1191  0.0950  0.9163  1.0
  O  O7  4  0.1224  0.9196  0.4045  1.0
  O  O8  4  0.1387  0.7595  0.9615  1.0
  O  O9  4  0.1441  0.5060  0.6832  1.0
  O  O10  4  0.1464  0.4805  0.1686  1.0
]