data_[Na2Ca1Os1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2685]
_cell_length_b [8.0811]
_cell_length_c [6.4489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2CaOsCl8]
_chemical_formula_sum '[Na2 Ca1 Os1 Cl8]'
_cell_volume [326.4556]
_cell_formula_units_Z [1]
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
[
  Na  Na0  2  0.5000  0.2549  0.5000  1.0
  Ca  Ca1  1  0.0000  0.5000  0.0000  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2105  0.2108  0.8512  1.0
  Cl  Cl4  2  0.2245  0.0000  0.2953  1.0
  Cl  Cl5  2  0.2707  0.5000  0.3229  1.0
]