data_[Li4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7931]
_cell_length_b [4.7931]
_cell_length_c [4.8213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [LiTc]
_chemical_formula_sum '[Li4 Tc4]'
_cell_volume [110.7638]
_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
[
  Li  Li0  4  0.1699  0.8301  0.0000  1
  Tc  Tc1  4  0.1671  0.8329  0.5000  1
]