data_[Li5Tc1O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0785]
_cell_length_b [3.1203]
_cell_length_c [5.3875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li5TcO4]
_chemical_formula_sum '[Li5 Tc1 O4]'
_cell_volume [85.3635]
_cell_formula_units_Z [1]
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  2  0.3443  0.5000  0.6531  1
  Li  Li1  2  0.3741  0.0000  0.1768  1
  Li  Li2  1  0.0000  0.0000  0.5000  1
  Tc  Tc3  1  0.0000  0.5000  0.0000  1
  O  O4  2  0.2369  0.0000  0.8380  1
  O  O5  2  0.2445  0.5000  0.3197  1
]