data_[Mg4Ti8P8O36]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.3389]
_cell_length_b [6.3650]
_cell_length_c [7.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MgTi2P2O9]
_chemical_formula_sum '[Mg4 Ti8 P8 O36]'
_cell_volume [680.5661]
_cell_formula_units_Z [4]
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  4  0.2285  0.2500  0.0707  1
  Ti  Ti1  4  0.0000  0.0000  0.0000  1
  Ti  Ti2  4  0.1181  0.2500  0.6473  1
  P  P3  4  0.0734  0.7500  0.6344  1
  P  P4  4  0.1951  0.7500  0.1191  1
  O  O5  8  0.1374  0.5416  0.1081  1
  O  O6  8  0.1425  0.5637  0.6200  1
  O  O7  4  0.0019  0.2500  0.5070  1
  O  O8  4  0.0270  0.7500  0.8231  1
  O  O9  4  0.0580  0.2500  0.8713  1
  O  O10  4  0.2314  0.2500  0.4664  1
  O  O11  4  0.2469  0.2500  0.7972  1
]