data_[Ti4Sn2P1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.2809]
_cell_length_b [3.2809]
_cell_length_c [14.1295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ti4Sn2PC]
_chemical_formula_sum '[Ti4 Sn2 P1 C1]'
_cell_volume [131.7191]
_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  2  0.3333  0.6667  0.1027  1
  Ti  Ti1  2  0.3333  0.6667  0.4241  1
  Sn  Sn2  2  0.3333  0.6667  0.7392  1
  P  P3  1  0.0000  0.0000  0.0000  1
  C  C4  1  0.0000  0.0000  0.5000  1
]