data_[Er1Ti3Sn2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [3.2548]
_cell_length_b [3.2548]
_cell_length_c [14.3277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ErTi3(SnC)2]
_chemical_formula_sum '[Er1 Ti3 Sn2 C2]'
_cell_volume [131.4495]
_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
[
  Er  Er0  1  0.0000  0.0000  0.9187  1
  Ti  Ti1  1  0.0000  0.0000  0.5692  1
  Ti  Ti2  1  0.6667  0.3333  0.0929  1
  Ti  Ti3  1  0.6667  0.3333  0.4180  1
  Sn  Sn4  1  0.0000  0.0000  0.2553  1
  Sn  Sn5  1  0.6667  0.3333  0.7314  1
  C  C6  1  0.3333  0.6667  0.0207  1
  C  C7  1  0.3333  0.6667  0.4938  1
]