data_[Ca8Os4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6269]
_cell_length_b [5.1593]
_cell_length_c [6.9539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2OsC2]
_chemical_formula_sum '[Ca8 Os4 C8]'
_cell_volume [359.9531]
_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  0.0324  0.0000  0.7737  1.0
  Ca  Ca1  4  0.1792  0.5000  0.6228  1.0
  Os  Os2  4  0.1327  0.5000  0.1402  1.0
  C  C3  4  0.0158  0.5000  0.8024  1.0
  C  C4  4  0.1912  0.0000  0.6315  1.0
]