data_[Sc9Ti3Co24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8327]
_cell_length_b [4.8327]
_cell_length_c [23.6550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc3TiCo8]
_chemical_formula_sum '[Sc9 Ti3 Co24]'
_cell_volume [478.4535]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3749  1
  Sc  Sc1  3  0.0000  0.0000  0.5009  1
  Sc  Sc2  3  0.0000  0.0000  0.9988  1
  Ti  Ti3  3  0.0000  0.0000  0.8749  1
  Co  Co4  9  0.0022  0.5011  0.4390  1
  Co  Co5  9  0.1678  0.3355  0.2694  1
  Co  Co6  3  0.0000  0.0000  0.1877  1
  Co  Co7  3  0.0000  0.0000  0.6875  1
]