data_[La16Tc4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [12.5518]
_cell_length_b [8.9366]
_cell_length_c [6.6082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Tc2Ni]
_chemical_formula_sum '[La16 Tc4 Ni2]'
_cell_volume [720.1348]
_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
[
  La  La0  8  0.1273  0.2071  0.2930  1
  La  La1  4  0.0878  0.5000  0.7789  1
  La  La2  4  0.1621  0.0000  0.7903  1
  Tc  Tc3  4  0.1797  0.5000  0.3823  1
  Ni  Ni4  2  0.0000  0.0000  0.0000  1
]