data_[Ce1Si3Tc4]
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 [P4/mmm]
_cell_length_a [4.1183]
_cell_length_b [4.1183]
_cell_length_c [7.8939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CeSi3Tc4]
_chemical_formula_sum '[Ce1 Si3 Tc4]'
_cell_volume [133.8865]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Tc  Tc1  4  0.0000  0.5000  0.1737  1
  Si  Si2  2  0.5000  0.5000  0.3428  1
  Si  Si3  1  0.0000  0.0000  0.0000  1
]