data_[Ti2Co4Ni12]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0240]
_cell_length_b [3.5339]
_cell_length_c [7.5869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(CoNi3)2]
_chemical_formula_sum '[Ti2 Co4 Ni12]'
_cell_volume [203.4598]
_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  2  0.0000  0.0000  0.5000  1
  Co  Co1  4  0.1745  0.5000  0.7326  1
  Ni  Ni2  4  0.0016  0.0000  0.8335  1
  Ni  Ni3  4  0.1647  0.5000  0.3833  1
  Ni  Ni4  4  0.1651  0.5000  0.0532  1
]