data_[Sr6Hg2H2]
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 [P2_1/m]
_cell_length_a [8.6586]
_cell_length_b [4.2681]
_cell_length_c [9.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr3HgH]
_chemical_formula_sum '[Sr6 Hg2 H2]'
_cell_volume [333.0147]
_cell_formula_units_Z [2]
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  2  0.0575  0.7500  0.3341  1.0
  Sr  Sr1  2  0.2690  0.7500  0.9699  1.0
  Sr  Sr2  2  0.3820  0.2500  0.6313  1.0
  Hg  Hg3  2  0.3252  0.2500  0.2490  1.0
  H  H4  2  0.1416  0.7500  0.6340  1.0
]