data_[La12P4Ru2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5759]
_cell_length_b [4.1683]
_cell_length_c [8.8247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6P2RuCl3]
_chemical_formula_sum '[La12 P4 Ru2 Cl6]'
_cell_volume [662.7888]
_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  4  0.0043  0.0000  0.2286  1.0
  La  La1  4  0.1534  0.5000  0.1002  1.0
  La  La2  4  0.1742  0.5000  0.5676  1.0
  P  P3  4  0.1649  0.0000  0.3367  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1707  0.0000  0.8336  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]