data_[Tm4Cu4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0739]
_cell_length_b [3.5749]
_cell_length_c [6.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmCuC]
_chemical_formula_sum '[Tm4 Cu4 C4]'
_cell_volume [175.7794]
_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  0.1141  0.5000  0.3026  1.0
  Cu  Cu1  4  0.1386  0.0000  0.9320  1.0
  C  C2  4  0.0834  0.0000  0.5669  1.0
]