data_[Ba2Sm1Os1Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2830]
_cell_length_b [7.3001]
_cell_length_c [7.3755]
_cell_angle_alpha [62.4534]
_cell_angle_beta [61.6002]
_cell_angle_gamma [60.9247]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2SmOsSe6]
_chemical_formula_sum '[Ba2 Sm1 Os1 Se6]'
_cell_volume [287.4943]
_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
[
  Ba  Ba0  2  0.2512  0.7448  0.7558  1
  Sm  Sm1  1  0.0000  0.5000  0.5000  1
  Os  Os2  1  0.5000  0.0000  0.0000  1
  Se  Se3  2  0.2107  0.2661  0.8198  1
  Se  Se4  2  0.2762  0.1561  0.3112  1
  Se  Se5  2  0.3084  0.7213  0.2000  1
]