data_[Ba1Ac2Tc1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2/m]
_cell_length_a [4.6488]
_cell_length_b [5.4402]
_cell_length_c [7.5472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaAc2TcO8]
_chemical_formula_sum '[Ba1 Ac2 Tc1 O8]'
_cell_volume [182.8868]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1
  Ac  Ac1  2  0.3797  0.5000  0.2099  1
  Tc  Tc2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.1816  0.2502  0.8926  1
  O  O4  2  0.2300  0.5000  0.4959  1
  O  O5  2  0.3302  0.0000  0.2273  1
]