data_[Ta3Ti1Sn2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2442]
_cell_length_b [3.2442]
_cell_length_c [13.7769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ta3Ti(SnC)2]
_chemical_formula_sum '[Ta3 Ti1 Sn2 C2]'
_cell_volume [125.5753]
_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
[
  Ta  Ta0  1  0.0000  0.0000  0.5845  1
  Ta  Ta1  1  0.6667  0.3333  0.0793  1
  Ta  Ta2  1  0.6667  0.3333  0.4169  1
  Ti  Ti3  1  0.0000  0.0000  0.9192  1
  Sn  Sn4  1  0.0000  0.0000  0.2486  1
  Sn  Sn5  1  0.6667  0.3333  0.7537  1
  C  C6  1  0.3333  0.6667  0.5007  1
  C  C7  1  0.3333  0.6667  0.9970  1
]