data_[Mg1Ti2P2H2O10]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2700]
_cell_length_b [5.4800]
_cell_length_c [7.3530]
_cell_angle_alpha [108.0333]
_cell_angle_beta [109.3116]
_cell_angle_gamma [95.4658]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgTi2P2(HO5)2]
_chemical_formula_sum '[Mg1 Ti2 P2 H2 O10]'
_cell_volume [185.8782]
_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
[
  Mg  Mg0  1  0.7466  0.4154  0.7345  1
  Ti  Ti1  1  0.0045  0.0153  0.4765  1
  Ti  Ti2  1  0.0080  0.0343  0.0265  1
  P  P3  1  0.3268  0.6616  0.7515  1
  P  P4  1  0.6578  0.3965  0.2475  1
  H  H5  1  0.3016  0.8139  0.2699  1
  H  H6  1  0.6751  0.9502  0.6565  1
  O  O7  1  0.1162  0.6816  0.8579  1
  O  O8  1  0.1550  0.9136  0.2581  1
  O  O9  1  0.2797  0.8195  0.6083  1
  O  O10  1  0.3150  0.3642  0.6360  1
  O  O11  1  0.3588  0.2643  0.0978  1
  O  O12  1  0.6353  0.7515  0.9029  1
  O  O13  1  0.6833  0.6970  0.3398  1
  O  O14  1  0.7485  0.2883  0.4287  1
  O  O15  1  0.8445  0.3321  0.1219  1
  O  O16  1  0.8559  0.0756  0.7286  1
]