data_[Ca8La24Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1098]
_cell_length_b [14.9741]
_cell_length_c [7.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaLa3Os]
_chemical_formula_sum '[Ca8 La24 Os8]'
_cell_volume [1417.2370]
_cell_formula_units_Z [8]
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  8  0.1232  0.3065  0.6110  1.0
  La  La1  8  0.1172  0.1827  0.0487  1.0
  La  La2  8  0.1205  0.4305  0.1298  1.0
  La  La3  8  0.1259  0.0592  0.4846  1.0
  Os  Os4  4  0.0000  0.0796  0.7500  1.0
  Os  Os5  4  0.0000  0.2976  0.2500  1.0
]