data_[Sc5Ni1Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1921]
_cell_length_b [3.1921]
_cell_length_c [16.3876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sc5NiOs4]
_chemical_formula_sum '[Sc5 Ni1 Os4]'
_cell_volume [166.9786]
_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
[
  Sc  Sc0  2  0.5000  0.5000  0.0999  1.0
  Sc  Sc1  2  0.5000  0.5000  0.2971  1.0
  Sc  Sc2  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
  Os  Os4  2  0.0000  0.0000  0.1960  1.0
  Os  Os5  2  0.0000  0.0000  0.3992  1.0
]