data_[Ca6Si8Os4]
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 [C2/m]
_cell_length_a [11.0209]
_cell_length_b [4.1658]
_cell_length_c [8.1117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(Si2Os)2]
_chemical_formula_sum '[Ca6 Si8 Os4]'
_cell_volume [356.2220]
_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
[
  Ca  Ca0  4  0.1091  0.5000  0.6952  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.1116  0.0000  0.4161  1.0
  Si  Si3  4  0.2201  0.5000  0.0783  1.0
  Os  Os4  4  0.1886  0.5000  0.3538  1.0
]