data_[Ba2La2Mn2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.7820]
_cell_length_b [5.7773]
_cell_length_c [9.9093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [BaLaMnRuO6]
_chemical_formula_sum '[Ba2 La2 Mn2 Ru2 O12]'
_cell_volume [270.9554]
_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  0.2506  0.2515  0.7509  1.0
  La  La1  2  0.7327  0.2392  0.2509  1.0
  Mn  Mn2  2  0.9984  0.2526  0.0030  1.0
  Ru  Ru3  2  0.5016  0.2504  0.5010  1.0
  O  O4  2  0.1637  0.2510  0.2610  1.0
  O  O5  2  0.3125  0.0080  0.0373  1.0
  O  O6  2  0.3243  0.4861  0.0409  1.0
  O  O7  2  0.7123  0.0194  0.4583  1.0
  O  O8  2  0.7167  0.4738  0.4564  1.0
  O  O9  2  0.7872  0.2404  0.7404  1.0
]