data_[Zr2Ta2H4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.1029]
_cell_length_b [3.1029]
_cell_length_c [12.3580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [ZrTaH2Os]
_chemical_formula_sum '[Zr2 Ta2 H4 Os2]'
_cell_volume [118.9852]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.3615  1
  Ta  Ta1  2  0.0000  0.0000  0.6399  1
  H  H2  4  0.0000  0.5000  0.2431  1
  Os  Os3  2  0.0000  0.0000  0.0125  1
]