data_[Sc16Cu4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8619]
_cell_length_b [4.7536]
_cell_length_c [6.3235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Cu2Os]
_chemical_formula_sum '[Sc16 Cu4 Os2]'
_cell_volume [449.8209]
_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  4  0.0300  0.0000  0.7951  1.0
  Sc  Sc1  4  0.0953  0.5000  0.4436  1.0
  Sc  Sc2  4  0.1681  0.5000  0.9707  1.0
  Sc  Sc3  4  0.1930  0.0000  0.3018  1.0
  Cu  Cu4  4  0.1816  0.0000  0.7005  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]