data_[Sc4Sn4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7177]
_cell_length_b [4.3852]
_cell_length_c [5.0317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScSnOs]
_chemical_formula_sum '[Sc4 Sn4 Os4]'
_cell_volume [254.4295]
_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
[
  Sc  Sc0  4  0.1311  0.0000  0.8340  1
  Sn  Sn1  4  0.0729  0.5000  0.2776  1
  Os  Os2  4  0.2103  0.0000  0.3816  1
]