data_[Tm16Sn4Ge4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5958]
_cell_length_b [15.3550]
_cell_length_c [6.5990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm4SnGeC]
_chemical_formula_sum '[Tm16 Sn4 Ge4 C4]'
_cell_volume [668.3338]
_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  1.0
  Tm  Tm1  4  0.0000  0.0839  0.7500  1.0
  Tm  Tm2  4  0.0000  0.4086  0.7500  1.0
  Sn  Sn3  4  0.0000  0.3922  0.2500  1.0
  Ge  Ge4  4  0.0000  0.1141  0.2500  1.0
  C  C5  4  0.0000  0.2480  0.7500  1.0
]