data_[Tm2Zr10C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6426]
_cell_length_b [3.3760]
_cell_length_c [6.7982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmZr5C4]
_chemical_formula_sum '[Tm2 Zr10 C8]'
_cell_volume [325.7591]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Zr  Zr1  4  0.1638  0.0000  0.3179  1
  Zr  Zr2  4  0.1653  0.0000  0.8520  1
  Zr  Zr3  2  0.0000  0.5000  0.5000  1
  C  C4  4  0.0037  0.0000  0.2647  1
  C  C5  4  0.1717  0.5000  0.0925  1
]