data_[Ca2La6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.8572]
_cell_length_b [7.8932]
_cell_length_c [6.9925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaLa3Ru]
_chemical_formula_sum '[Ca2 La6 Ru2]'
_cell_volume [355.7161]
_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
[
  Ca  Ca0  2  0.3975  0.1172  0.6105  1.0
  La  La1  2  0.3798  0.3840  0.0944  1.0
  La  La2  2  0.8889  0.3739  0.5849  1.0
  La  La3  2  0.9046  0.1211  0.0984  1.0
  Ru  Ru4  2  0.1256  0.3573  0.3255  1.0
]