data_[Ba4Er2Mg2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  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 [Immm]
_cell_length_a [5.8973]
_cell_length_b [6.0861]
_cell_length_c [9.2350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2ErMgRuO6]
_chemical_formula_sum '[Ba4 Er2 Mg2 Ru2 O12]'
_cell_volume [331.4552]
_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  4  0.0000  0.5000  0.3095  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2310  0.2576  0.0000  1
  O  O5  4  0.0000  0.0000  0.2374  1
]