data_[La4Er6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1877]
_cell_length_b [3.8713]
_cell_length_c [8.9566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Er3Ru2]
_chemical_formula_sum '[La4 Er6 Ru4]'
_cell_volume [380.3911]
_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  0.1661  0.0000  0.7960  1
  Er  Er1  4  0.1228  0.5000  0.4206  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Ru  Ru3  4  0.1803  0.0000  0.2356  1
]