data_[Ba2Ac2P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9464]
_cell_length_b [3.9464]
_cell_length_c [14.6268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaAcP]
_chemical_formula_sum '[Ba2 Ac2 P2]'
_cell_volume [227.7967]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0406  1
  Ac  Ac1  2  0.0000  0.0000  0.2775  1
  P  P2  2  0.0000  0.0000  0.6819  1
]