data_[Tm12Si4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7277]
_cell_length_b [19.7284]
_cell_length_c [4.7350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3SiC]
_chemical_formula_sum '[Tm12 Si4 C4]'
_cell_volume [441.6343]
_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  0.0000  0.0609  0.7500  1.0
  Tm  Tm1  4  0.0000  0.1918  0.2500  1.0
  Tm  Tm2  4  0.0000  0.4256  0.7500  1.0
  Si  Si3  4  0.0000  0.3384  0.2500  1.0
  C  C4  4  0.0000  0.0709  0.2500  1.0
]