data_[Ac1Ni1Bi2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1420]
_cell_length_b [5.6641]
_cell_length_c [6.5453]
_cell_angle_alpha [112.1301]
_cell_angle_beta [106.1077]
_cell_angle_gamma [91.4035]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AcNi(BiO3)2]
_chemical_formula_sum '[Ac1 Ni1 Bi2 O6]'
_cell_volume [167.8631]
_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
[
  Ac  Ac0  1  0.1625  0.6509  0.4083  1
  Ni  Ni1  1  0.6611  0.0421  0.3450  1
  Bi  Bi2  1  0.5003  0.3900  0.8853  1
  Bi  Bi3  1  0.9947  0.9664  0.9739  1
  O  O4  1  0.1903  0.3488  0.0271  1
  O  O5  1  0.2583  0.6817  0.8006  1
  O  O6  1  0.2821  0.0516  0.3336  1
  O  O7  1  0.7585  0.8891  0.5868  1
  O  O8  1  0.7608  0.2556  0.1848  1
  O  O9  1  0.7698  0.7391  0.1316  1
]