data_[Er12In3Ni3Ru6]
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
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8919]
_cell_length_b [4.8919]
_cell_length_c [23.9750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er4InNiRu2]
_chemical_formula_sum '[Er12 In3 Ni3 Ru6]'
_cell_volume [496.8794]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1306  1
  Er  Er1  6  0.0000  0.0000  0.3826  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Ni  Ni3  3  -0.0000  -0.0000  0.5000  1
  Ru  Ru4  6  0.0000  0.0000  0.2512  1
]