data_[Ba1Sr2H8Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2765]
_cell_length_b [5.2765]
_cell_length_c [7.3421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaSr2H8Os]
_chemical_formula_sum '[Ba1 Sr2 H8 Os1]'
_cell_volume [177.0247]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Sr  Sr1  2  0.3333  0.6667  0.1475  1.0
  H  H2  6  0.1530  0.3060  0.8597  1.0
  H  H3  2  0.3333  0.6667  0.4790  1.0
  Os  Os4  1  0.0000  0.0000  0.0000  1.0
]