data_[Er10Zr2Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7599]
_cell_length_b [6.6974]
_cell_length_c [14.1795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er5ZrRu6]
_chemical_formula_sum '[Er10 Zr2 Ru12]'
_cell_volume [452.0319]
_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  4  0.0000  0.0000  0.3340  1
  Er  Er1  4  0.0000  0.5000  0.3326  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Zr  Zr3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  8  0.0000  0.2446  0.1626  1
  Ru  Ru5  4  0.0000  0.2604  0.5000  1
]