data_[La4Zn4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1616]
_cell_length_b [5.6986]
_cell_length_c [7.8456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaZnRu]
_chemical_formula_sum '[La4 Zn4 Ru4]'
_cell_volume [257.1897]
_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
[
  La  La0  4  0.1898  0.0934  0.8727  1.0
  Zn  Zn1  4  0.4100  0.5926  0.8142  1.0
  Ru  Ru2  4  0.1859  0.6256  0.0457  1.0
]