data_[Tm16Pb4Au4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7724]
_cell_length_b [14.8410]
_cell_length_c [6.7752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm4PbAuC]
_chemical_formula_sum '[Tm16 Pb4 Au4 C4]'
_cell_volume [680.9721]
_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  8  0.2500  0.2500  0.0000  1
  Tm  Tm1  4  0.0000  0.0776  0.2500  1
  Tm  Tm2  4  0.0000  0.4095  0.2500  1
  Pb  Pb3  4  0.0000  0.3867  0.7500  1
  Au  Au4  4  0.0000  0.1186  0.7500  1
  C  C5  4  0.0000  0.2479  0.2500  1
]