data_[Ba5Mg1Bi3O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4411]
_cell_length_b [6.5263]
_cell_length_c [9.8564]
_cell_angle_alpha [91.1444]
_cell_angle_beta [98.3567]
_cell_angle_gamma [90.8704]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba5MgBi3O11]
_chemical_formula_sum '[Ba5 Mg1 Bi3 O11]'
_cell_volume [409.7789]
_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  0.0929  0.4704  0.1766  1.0
  Ba  Ba1  1  0.5168  0.0321  0.7711  1.0
  Ba  Ba2  1  0.6160  0.9736  0.1723  1.0
  Ba  Ba3  1  0.9353  0.9480  0.5160  1.0
  Ba  Ba4  1  0.9708  0.5107  0.7578  1.0
  Mg  Mg5  1  0.8154  0.4054  0.3931  1.0
  Bi  Bi6  1  0.0639  0.9917  0.9768  1.0
  Bi  Bi7  1  0.4161  0.4951  0.5390  1.0
  Bi  Bi8  1  0.5510  0.4971  0.9968  1.0
  O  O9  1  0.0603  0.5847  0.4665  1.0
  O  O10  1  0.0927  0.9719  0.7685  1.0
  O  O11  1  0.2898  0.7273  0.0182  1.0
  O  O12  1  0.3391  0.2239  0.0373  1.0
  O  O13  1  0.3764  0.4345  0.7454  1.0
  O  O14  1  0.5887  0.7724  0.5779  1.0
  O  O15  1  0.6628  0.5479  0.2227  1.0
  O  O16  1  0.7082  0.2950  0.5594  1.0
  O  O17  1  0.7736  0.7686  0.9598  1.0
  O  O18  1  0.8155  0.2693  0.9571  1.0
  O  O19  1  0.9315  0.1658  0.3018  1.0
]