data_[Sc14Sn4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3029]
_cell_length_b [13.1404]
_cell_length_c [10.0074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sc7(SnC)2]
_chemical_formula_sum '[Sc14 Sn4 C4]'
_cell_volume [434.3277]
_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
[
  Sc  Sc0  4  0.0000  0.1457  0.7825  1
  Sc  Sc1  4  0.0000  0.1952  0.0844  1
  Sc  Sc2  4  0.0000  0.3497  0.8835  1
  Sc  Sc3  2  0.0000  0.5000  0.4644  1
  Sn  Sn4  2  0.0000  0.0000  0.2242  1
  Sn  Sn5  2  0.0000  0.5000  0.1177  1
  C  C6  4  0.0000  0.2895  0.4196  1
]