data_[Er16In2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7109]
_cell_length_b [13.0410]
_cell_length_c [5.3949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8InRu2]
_chemical_formula_sum '[Er16 In2 Ru4]'
_cell_volume [595.3588]
_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
[
  Er  Er0  8  0.1973  0.1327  0.0780  1.0
  Er  Er1  4  0.0000  0.2480  0.5000  1.0
  Er  Er2  4  0.1152  0.5000  0.3011  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.3142  0.0000  1.0
]