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 [7.4300]
_cell_length_b [7.5610]
_cell_length_c [7.7410]
_cell_angle_alpha [68.6856]
_cell_angle_beta [84.7095]
_cell_angle_gamma [77.2649]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La4AgRu2]
_chemical_formula_sum '[La8 Ag2 Ru4]'
_cell_volume [395.1244]
_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  0.3219  0.8902  0.4829  1
  La  La1  1  0.3450  0.4179  0.3732  1
  La  La2  1  0.4353  0.4129  0.8414  1
  La  La3  1  0.4715  0.8829  0.9482  1
  La  La4  1  0.7766  0.0537  0.3592  1
  La  La5  1  0.7947  0.5414  0.3593  1
  La  La6  1  0.9359  0.2517  0.7979  1
  La  La7  1  0.9431  0.7263  0.8478  1
  Ag  Ag8  1  0.0899  0.8506  0.1591  1
  Ag  Ag9  1  0.1025  0.2688  0.1516  1
  Ru  Ru10  1  0.0801  0.6113  0.5592  1
  Ru  Ru11  1  0.6313  0.1334  0.6473  1
  Ru  Ru12  1  0.6344  0.7189  0.6509  1
  Ru  Ru13  1  0.6878  0.4899  0.0721  1
]