data_[Ba8Mg4Ru4O20]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4883]
_cell_length_b [14.9472]
_cell_length_c [10.7965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2MgRuO5]
_chemical_formula_sum '[Ba8 Mg4 Ru4 O20]'
_cell_volume [562.9285]
_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  0.1140  0.6933  1
  Ba  Ba1  4  0.0000  0.1295  0.2977  1
  Mg  Mg2  4  0.0000  0.4377  0.4576  1
  Ru  Ru3  4  0.0000  0.2133  0.0145  1
  O  O4  4  0.0000  0.0748  0.0371  1
  O  O5  4  0.0000  0.2864  0.6291  1
  O  O6  4  0.0000  0.3054  0.3972  1
  O  O7  4  0.0000  0.3410  0.0011  1
  O  O8  4  0.0000  0.4958  0.2964  1
]