data_[Tm4Sc4Cr4C8]
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
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3963]
_cell_length_b [3.2765]
_cell_length_c [8.5171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmScCrC2]
_chemical_formula_sum '[Tm4 Sc4 Cr4 C8]'
_cell_volume [289.7480]
_cell_formula_units_Z [4]
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  4  0.1664  0.0000  0.7620  1.0
  Sc  Sc1  4  0.1224  0.5000  0.3437  1.0
  Cr  Cr2  4  0.0897  0.0000  0.0227  1.0
  C  C3  4  0.1067  0.5000  0.9112  1.0
  C  C4  4  0.2259  0.0000  0.3068  1.0
]