data_[Ti16Co2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0749]
_cell_length_b [4.6850]
_cell_length_c [5.3027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8CoSb2]
_chemical_formula_sum '[Ti16 Co2 Sb4]'
_cell_volume [373.4852]
_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
[
  Ti  Ti0  4  0.0413  0.0000  0.2655  1
  Ti  Ti1  4  0.0830  0.5000  0.5652  1
  Ti  Ti2  4  0.1493  0.5000  0.1057  1
  Ti  Ti3  4  0.2333  0.0000  0.3365  1
  Co  Co4  2  0.0000  0.5000  0.0000  1
  Sb  Sb5  4  0.1566  0.0000  0.8018  1
]