data_[Sc2Tc2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3642]
_cell_length_b [2.8349]
_cell_length_c [4.7588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScTcOs2]
_chemical_formula_sum '[Sc2 Tc2 Os4]'
_cell_volume [124.5300]
_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  0.0024  0.5000  0.4424  1
  Tc  Tc1  2  0.2290  0.5000  0.2989  1
  Os  Os2  2  0.2702  0.0000  0.8479  1
  Os  Os3  2  0.4984  0.5000  0.9108  1
]