data_[Er12Ni10Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7576]
_cell_length_b [14.2611]
_cell_length_c [6.6502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er6Ni5Ru]
_chemical_formula_sum '[Er12 Ni10 Ru2]'
_cell_volume [451.2089]
_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  0.0000  0.1664  0.2492  1
  Er  Er1  4  0.0000  0.5000  0.2500  1
  Ni  Ni2  4  0.0000  0.3330  0.5000  1
  Ni  Ni3  4  0.0000  0.3355  0.0000  1
  Ni  Ni4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
]