data_[Ti12V2Co10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2158]
_cell_length_b [6.0031]
_cell_length_c [12.6532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6VCo5]
_chemical_formula_sum '[Ti12 V2 Co10]'
_cell_volume [320.2303]
_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  8  0.0000  0.2503  0.8332  1
  Ti  Ti1  4  0.0000  0.2489  0.5000  1
  V  V2  2  0.0000  0.0000  0.0000  1
  Co  Co3  4  0.0000  0.0000  0.3306  1
  Co  Co4  4  0.0000  0.5000  0.3320  1
  Co  Co5  2  0.0000  0.5000  0.0000  1
]