data_[Sc2Os2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1542]
_cell_length_b [3.3528]
_cell_length_c [4.6902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScOsSe2]
_chemical_formula_sum '[Sc2 Os2 Se4]'
_cell_volume [140.5816]
_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
[
  Sc  Sc0  2  0.2376  0.5000  0.1852  1
  Os  Os1  2  0.0121  0.5000  0.5320  1
  Se  Se2  2  0.0043  0.0000  0.0977  1
  Se  Se3  2  0.2459  0.0000  0.6850  1
]