data_[Ce6Al6Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5601]
_cell_length_b [4.7104]
_cell_length_c [4.8577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Al3Tc2]
_chemical_formula_sum '[Ce6 Al6 Tc4]'
_cell_volume [352.3912]
_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
[
  Ce  Ce0  4  0.1640  0.0000  0.5727  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.1326  0.5000  0.0541  1
  Al  Al3  2  0.0000  0.5000  0.5000  1
  Tc  Tc4  4  0.2061  0.0000  0.0963  1
]