data_[Sc12Co2Ni10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4942]
_cell_length_b [13.4555]
_cell_length_c [6.2632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc6CoNi5]
_chemical_formula_sum '[Sc12 Co2 Ni10]'
_cell_volume [378.7451]
_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  8  0.0000  0.1649  0.2483  1
  Sc  Sc1  4  0.0000  0.5000  0.2474  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.3321  0.5000  1
  Ni  Ni4  4  0.0000  0.3339  0.0000  1
  Ni  Ni5  2  0.0000  0.0000  0.5000  1
]