data_[Li1Ac1Tc1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0360]
_cell_length_b [5.2264]
_cell_length_c [5.2449]
_cell_angle_alpha [87.1604]
_cell_angle_beta [61.3265]
_cell_angle_gamma [88.4900]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiAcTcO6]
_chemical_formula_sum '[Li1 Ac1 Tc1 O6]'
_cell_volume [120.9686]
_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  1  0.6714  0.4941  0.6752  1
  Ac  Ac1  1  0.9859  0.9231  0.0066  1
  Tc  Tc2  1  0.3435  0.4656  0.3130  1
  O  O3  1  0.0209  0.7362  0.4391  1
  O  O4  1  0.0522  0.2997  0.6375  1
  O  O5  1  0.3159  0.2767  0.0486  1
  O  O6  1  0.4011  0.7524  0.5515  1
  O  O7  1  0.5362  0.7192  0.0086  1
  O  O8  1  0.6729  0.3330  0.3201  1
]