data_[Tm1Ti3Sn2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [3.2522]
_cell_length_b [3.2522]
_cell_length_c [14.2910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TmTi3(SnC)2]
_chemical_formula_sum '[Tm1 Ti3 Sn2 C2]'
_cell_volume [130.9009]
_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
[
  Tm  Tm0  1  0.0000  0.0000  0.9185  1
  Ti  Ti1  1  0.0000  0.0000  0.5700  1
  Ti  Ti2  1  0.6667  0.3333  0.0921  1
  Ti  Ti3  1  0.6667  0.3333  0.4183  1
  Sn  Sn4  1  0.0000  0.0000  0.2551  1
  Sn  Sn5  1  0.6667  0.3333  0.7322  1
  C  C6  1  0.3333  0.6667  0.0193  1
  C  C7  1  0.3333  0.6667  0.4944  1
]