data_[Ce4Y12Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9039]
_cell_length_b [3.8997]
_cell_length_c [13.0227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeY3Tc]
_chemical_formula_sum '[Ce4 Y12 Tc4]'
_cell_volume [556.9110]
_cell_formula_units_Z [4]
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  2  0.2727  0.5000  0.0082  1
  Ce  Ce1  2  0.3845  0.5000  0.2895  1
  Y  Y2  2  0.0133  0.0000  0.9030  1
  Y  Y3  2  0.0443  0.5000  0.1482  1
  Y  Y4  2  0.0643  0.5000  0.5239  1
  Y  Y5  2  0.2090  0.0000  0.3824  1
  Y  Y6  2  0.2408  0.0000  0.7640  1
  Y  Y7  2  0.3908  0.5000  0.6247  1
  Tc  Tc8  2  0.0701  0.5000  0.7611  1
  Tc  Tc9  2  0.2495  0.0000  0.1367  1
]