data_[Rb12La4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.8732]
_cell_length_b [7.2337]
_cell_length_c [12.4967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb3LaRu]
_chemical_formula_sum '[Rb12 La4 Ru4]'
_cell_volume [1213.9258]
_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
[
  Rb  Rb0  2  0.1180  0.5000  0.6368  1
  Rb  Rb1  2  0.1513  0.0000  0.3565  1
  Rb  Rb2  2  0.3464  0.5000  0.4183  1
  Rb  Rb3  2  0.3589  0.0000  0.7428  1
  Rb  Rb4  2  0.4015  0.5000  0.0111  1
  Rb  Rb5  2  0.4153  0.0000  0.2168  1
  La  La6  2  0.1313  0.0000  0.9124  1
  La  La7  2  0.1389  0.5000  0.0455  1
  Ru  Ru8  4  0.1612  0.1846  0.0948  1
]