data_[Ce6Si10Tc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.1747]
_cell_length_b [12.1348]
_cell_length_c [10.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce3Si5Tc6]
_chemical_formula_sum '[Ce6 Si10 Tc12]'
_cell_volume [506.7792]
_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  0.0000  0.3419  0.7467  1
  Ce  Ce1  2  0.0000  0.0000  0.7483  1
  Si  Si2  4  0.0000  0.1208  0.4830  1
  Tc  Tc3  4  0.0000  0.1886  0.9817  1
  Tc  Tc4  4  0.0000  0.3093  0.4104  1
  Si  Si5  4  0.0000  0.3291  0.1675  1
  Si  Si6  2  0.0000  0.0000  0.0834  1
  Tc  Tc7  2  0.0000  0.5000  0.0354  1
  Tc  Tc8  2  0.0000  0.5000  0.5395  1
]