data_[Ti6Zn2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1382]
_cell_length_b [3.0151]
_cell_length_c [9.4565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti3ZnC]
_chemical_formula_sum '[Ti6 Zn2 C2]'
_cell_volume [144.4240]
_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  0.1304  0.5000  0.3749  1.0
  Ti  Ti1  2  0.1998  0.0000  0.1145  1.0
  Ti  Ti2  2  0.3767  0.0000  0.6300  1.0
  Zn  Zn3  2  0.2894  0.5000  0.8743  1.0
  C  C4  1  0.0000  0.0000  0.5000  1.0
  C  C5  1  0.5000  0.5000  0.5000  1.0
]