data_[Er16Os2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Os  2.2000  1.3000  0.6730
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2377]
_cell_length_b [5.0837]
_cell_length_c [6.7857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8OsAu2]
_chemical_formula_sum '[Er16 Os2 Au4]'
_cell_volume [565.2045]
_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  0.0286  0.0000  0.7966  1.0
  Er  Er1  4  0.0913  0.5000  0.4335  1.0
  Er  Er2  4  0.1618  0.5000  0.9645  1.0
  Er  Er3  4  0.1991  0.0000  0.3055  1.0
  Os  Os4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1841  0.0000  0.7094  1.0
]