data_[La4Ru1N1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7840]
_cell_length_b [3.9896]
_cell_length_c [7.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4RuNCl2]
_chemical_formula_sum '[La4 Ru1 N1 Cl2]'
_cell_volume [200.7918]
_cell_formula_units_Z [1]
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  2  0.2262  0.0000  0.7994  1.0
  La  La1  2  0.2271  0.5000  0.1928  1.0
  Ru  Ru2  1  0.5000  0.5000  0.0000  1.0
  N  N3  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  1  0.5000  0.0000  0.5000  1.0
]