data_[Ce12Tc4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1680]
_cell_length_b [4.9112]
_cell_length_c [8.0589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3TcNi]
_chemical_formula_sum '[Ce12 Tc4 Ni4]'
_cell_volume [441.2436]
_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  4  0.0415  0.5000  0.8363  1
  Ce  Ce1  4  0.1342  0.0000  0.4139  1
  Ce  Ce2  4  0.2248  0.0000  0.8297  1
  Tc  Tc3  4  0.1173  0.0000  0.0823  1
  Ni  Ni4  4  0.1106  0.5000  0.4948  1
]