data_[Sn4Os4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [13.2484]
_cell_length_b [3.4252]
_cell_length_c [5.6543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SnOsSe]
_chemical_formula_sum '[Sn4 Os4 Se4]'
_cell_volume [256.5833]
_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
[
  Sn  Sn0  4  0.3499  0.0000  0.3330  1
  Os  Os1  2  0.0000  0.0000  0.4364  1
  Os  Os2  2  0.5000  0.0000  0.6748  1
  Se  Se3  4  0.1212  0.0000  0.7781  1
]