data_[Ac2Ta2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9356]
_cell_length_b [5.3641]
_cell_length_c [5.8240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcTaO4]
_chemical_formula_sum '[Ac2 Ta2 O8]'
_cell_volume [180.2006]
_cell_formula_units_Z [2]
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
[
  Ac  Ac0  2  0.5000  0.0000  0.5000  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.1007  0.2423  0.2784  1
  O  O3  4  0.3174  0.6239  0.5927  1
]