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 [5.2699]
_cell_length_b [5.4803]
_cell_length_c [7.3540]
_cell_angle_alpha [108.0341]
_cell_angle_beta [109.2996]
_cell_angle_gamma [95.4774]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgTi2P2(HO5)2]
_chemical_formula_sum '[Mg1 Ti2 P2 H2 O10]'
_cell_volume [185.9169]
_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  0.7465  0.4154  0.7344  1.0
  Ti  Ti1  1  0.0045  0.0153  0.4766  1.0
  Ti  Ti2  1  0.0080  0.0343  0.0265  1.0
  P  P3  1  0.3268  0.6616  0.7514  1.0
  P  P4  1  0.6578  0.3963  0.2475  1.0
  H  H5  1  0.3019  0.8147  0.2701  1.0
  H  H6  1  0.6750  0.9503  0.6566  1.0
  O  O7  1  0.1160  0.6816  0.8577  1.0
  O  O8  1  0.1549  0.9138  0.2580  1.0
  O  O9  1  0.2799  0.8197  0.6083  1.0
  O  O10  1  0.3148  0.3643  0.6358  1.0
  O  O11  1  0.3589  0.2642  0.0977  1.0
  O  O12  1  0.6352  0.7514  0.9029  1.0
  O  O13  1  0.6835  0.6967  0.3400  1.0
  O  O14  1  0.7482  0.2878  0.4286  1.0
  O  O15  1  0.8447  0.3320  0.1220  1.0
  O  O16  1  0.8558  0.0757  0.7287  1.0
]