data_[Sr4La12Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3892]
_cell_length_b [8.0299]
_cell_length_c [9.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrLa3Ru]
_chemical_formula_sum '[Sr4 La12 Ru4]'
_cell_volume [746.3365]
_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
[
  Sr  Sr0  2  0.3436  0.0000  0.4970  1.0
  Sr  Sr1  2  0.4303  0.0000  0.1578  1.0
  La  La2  4  0.0970  0.2500  0.9928  1.0
  La  La3  4  0.1785  0.7449  0.6620  1.0
  La  La4  2  0.3499  0.5000  0.5078  1.0
  La  La5  2  0.4313  0.5000  0.1732  1.0
  Ru  Ru6  2  0.1616  0.5000  0.8526  1.0
  Ru  Ru7  2  0.3860  0.5000  0.8255  1.0
]