data_[Ti2Co12P7]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.8214]
_cell_length_b [8.8214]
_cell_length_c [3.4853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Ti2Co12P7]
_chemical_formula_sum '[Ti2 Co12 P7]'
_cell_volume [234.8796]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ti  Ti1  1  0.3333  0.6667  0.5000  1
  Co  Co2  3  0.0545  0.7742  0.5000  1
  Co  Co3  3  0.1050  0.3985  0.0000  1
  Co  Co4  3  0.3869  0.2156  0.0000  1
  Co  Co5  3  0.5364  0.1086  0.5000  1
  P  P6  3  0.0820  0.6271  0.0000  1
  P  P7  3  0.2563  0.0451  0.5000  1
  P  P8  1  0.6667  0.3333  0.0000  1
]