data_[Sr2Hf4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.0767]
_cell_length_b [8.0767]
_cell_length_c [3.1777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sr(HfOs)2]
_chemical_formula_sum '[Sr2 Hf4 Os4]'
_cell_volume [207.2879]
_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  0.0000  0.0000  0.0000  1
  Hf  Hf1  4  0.1396  0.6396  0.5000  1
  Os  Os2  4  0.1449  0.3551  0.0000  1
]