data_[Tm3Sc1Te2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7258]
_cell_length_b [3.7258]
_cell_length_c [13.6598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tm3Sc(TeC)2]
_chemical_formula_sum '[Tm3 Sc1 Te2 C2]'
_cell_volume [164.2171]
_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  0.5963  1
  Tm  Tm1  1  0.6667  0.3333  0.0860  1
  Tm  Tm2  1  0.6667  0.3333  0.4086  1
  Sc  Sc3  1  0.0000  0.0000  0.9070  1
  Te  Te4  1  0.0000  0.0000  0.2474  1
  Te  Te5  1  0.6667  0.3333  0.7581  1
  C  C6  1  0.3333  0.6667  0.5026  1
  C  C7  1  0.3333  0.6667  0.9940  1
]