data_[Sr1La1Mn1Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P1]
_cell_length_a [5.6070]
_cell_length_b [5.6596]
_cell_length_c [5.6600]
_cell_angle_alpha [60.4947]
_cell_angle_beta [61.4185]
_cell_angle_gamma [61.3552]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrLaMnRuO6]
_chemical_formula_sum '[Sr1 La1 Mn1 Ru1 O6]'
_cell_volume [130.0985]
_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
[
  Sr  Sr0  1  0.2472  0.2434  0.2457  1.0
  La  La1  1  0.7485  0.7426  0.7450  1.0
  Mn  Mn2  1  0.5005  0.4952  0.4955  1.0
  Ru  Ru3  1  0.0000  0.9973  0.9984  1.0
  O  O4  1  0.1594  0.7691  0.3248  1.0
  O  O5  1  0.2346  0.6965  0.8239  1.0
  O  O6  1  0.3276  0.1553  0.7699  1.0
  O  O7  1  0.6927  0.8247  0.2474  1.0
  O  O8  1  0.7636  0.3247  0.1577  1.0
  O  O9  1  0.8257  0.2513  0.6917  1.0
]