data_[La8Ag2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4250]
_cell_length_b [7.5653]
_cell_length_c [7.7390]
_cell_angle_alpha [68.6442]
_cell_angle_beta [84.7092]
_cell_angle_gamma [77.2863]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La4AgRu2]
_chemical_formula_sum '[La8 Ag2 Ru4]'
_cell_volume [394.9047]
_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
[
  La  La0  1  0.3221  0.8901  0.4829  1.0
  La  La1  1  0.3447  0.4180  0.3732  1.0
  La  La2  1  0.4355  0.4128  0.8418  1.0
  La  La3  1  0.4717  0.8834  0.9478  1.0
  La  La4  1  0.7763  0.0536  0.3592  1.0
  La  La5  1  0.7947  0.5416  0.3592  1.0
  La  La6  1  0.9356  0.2517  0.7979  1.0
  La  La7  1  0.9429  0.7265  0.8476  1.0
  Ag  Ag8  1  0.0900  0.8506  0.1589  1.0
  Ag  Ag9  1  0.1024  0.2689  0.1515  1.0
  Ru  Ru10  1  0.0802  0.6111  0.5592  1.0
  Ru  Ru11  1  0.6315  0.1332  0.6474  1.0
  Ru  Ru12  1  0.6343  0.7189  0.6512  1.0
  Ru  Ru13  1  0.6881  0.4897  0.0721  1.0
]