data_[Ba4Tc4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6885]
_cell_length_b [6.8452]
_cell_length_c [11.1389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaTcO3]
_chemical_formula_sum '[Ba4 Tc4 O12]'
_cell_volume [420.7779]
_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
[
  Ba  Ba0  4  0.2767  0.6164  0.2286  1
  Tc  Tc1  4  0.3456  0.1041  0.4282  1
  O  O2  4  0.1193  0.5424  0.7737  1
  O  O3  4  0.2366  0.1720  0.5404  1
  O  O4  4  0.4915  0.2042  0.8884  1
]