data_[Mg2Ti2Se2O5]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.7465]
_cell_length_b [3.7849]
_cell_length_c [12.0752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg2Ti2Se2O5]
_chemical_formula_sum '[Mg2 Ti2 Se2 O5]'
_cell_volume [171.0727]
_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  2  0.4669  0.5000  0.7155  1
  Ti  Ti1  2  0.0273  0.0000  0.1506  1
  Se  Se2  2  0.1132  0.0000  0.5922  1
  O  O3  2  0.0355  0.5000  0.1928  1
  O  O4  2  0.4666  0.0000  0.8031  1
  O  O5  1  0.0000  0.0000  0.0000  1
]