data_[Tc12Sn48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0280]
_cell_length_b [13.0519]
_cell_length_c [9.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TcSn4]
_chemical_formula_sum '[Tc12 Sn48]'
_cell_volume [1491.2013]
_cell_formula_units_Z [12]
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
[
  Tc  Tc0  8  0.2134  0.4271  0.8424  1
  Tc  Tc1  4  0.0000  0.2217  0.2500  1
  Sn  Sn2  8  0.0535  0.1830  0.0047  1
  Sn  Sn3  8  0.0860  0.0393  0.4501  1
  Sn  Sn4  8  0.1132  0.3805  0.2453  1
  Sn  Sn5  8  0.1852  0.2754  0.6040  1
  Sn  Sn6  8  0.2283  0.4874  0.1128  1
  Sn  Sn7  4  0.0000  0.3679  0.7500  1
  Sn  Sn8  4  0.2500  0.2500  0.0000  1
]