data_[Sr8Hg8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [8.6984]
_cell_length_b [11.8788]
_cell_length_c [5.2193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [SrHgH]
_chemical_formula_sum '[Sr8 Hg8 H8]'
_cell_volume [539.2933]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  4  0.1695  0.1189  0.2500  1
  Sr  Sr1  4  0.4987  0.1268  0.7500  1
  Hg  Hg2  4  0.0959  0.6696  0.7500  1
  Hg  Hg3  4  0.2228  0.5732  0.2500  1
  H  H4  4  0.3283  0.2500  0.0000  1
  H  H5  4  0.4510  0.0758  0.2500  1
]