data_[Er16Ir4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2546]
_cell_length_b [4.8510]
_cell_length_c [6.8167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Ir2Pt]
_chemical_formula_sum '[Er16 Ir4 Pt2]'
_cell_volume [544.5263]
_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  0.0316  0.0000  0.7854  1.0
  Er  Er1  4  0.0964  0.5000  0.4569  1.0
  Er  Er2  4  0.1688  0.5000  0.9637  1.0
  Er  Er3  4  0.2049  0.0000  0.3128  1.0
  Ir  Ir4  4  0.1859  0.0000  0.7042  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]