data_[Ca4Si8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1252]
_cell_length_b [4.0823]
_cell_length_c [10.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaSi2Os]
_chemical_formula_sum '[Ca4 Si8 Os4]'
_cell_volume [291.8620]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.1479  0.7500  0.1237  1.0
  Si  Si1  4  0.1566  0.7500  0.8110  1.0
  Si  Si2  4  0.1932  0.7500  0.4212  1.0
  Os  Os3  4  0.0133  0.2500  0.3909  1.0
]