data_[Ba4Sr8Mo4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.1032]
_cell_length_b [7.1032]
_cell_length_c [12.2073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [BaSr2MoO5]
_chemical_formula_sum '[Ba4 Sr8 Mo4 O20]'
_cell_volume [615.9272]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.2500  1
  Sr  Sr1  8  0.1858  0.3142  0.0000  1
  Mo  Mo2  4  0.0000  0.5000  0.2500  1
  O  O3  16  0.1448  0.3552  0.6450  1
  O  O4  4  0.0000  0.0000  0.0000  1
]