data_[La2Zr2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.3947]
_cell_length_b [3.3947]
_cell_length_c [12.7574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LaZrTc]
_chemical_formula_sum '[La2 Zr2 Tc2]'
_cell_volume [147.0204]
_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  2  0.0000  0.0000  0.0276  1
  Zr  Zr1  2  0.0000  0.0000  0.2900  1
  Tc  Tc2  2  0.0000  0.0000  0.6825  1
]