data_[Mg4H8Se4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0391]
_cell_length_b [8.2413]
_cell_length_c [7.7828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgH2SeO5]
_chemical_formula_sum '[Mg4 H8 Se4 O20]'
_cell_volume [405.2254]
_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  0.2500  0.2500  0.0000  1.0
  H  H1  8  0.0826  0.0504  0.7041  1.0
  Se  Se2  4  0.0000  0.4154  0.2500  1.0
  O  O3  8  0.0192  0.3009  0.0833  1.0
  O  O4  8  0.2173  0.4672  0.8491  1.0
  O  O5  4  0.0000  0.1228  0.7500  1.0
]