data_[Er12Si12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2655]
_cell_length_b [10.2642]
_cell_length_c [14.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3Si3Pt2]
_chemical_formula_sum '[Er12 Si12 Pt8]'
_cell_volume [615.0876]
_cell_formula_units_Z [4]
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  0.0902  0.6113  1.0
  Er  Er1  4  0.0000  0.3686  0.7500  1.0
  Si  Si2  8  0.0000  0.3874  0.5349  1.0
  Si  Si3  4  0.0000  0.3361  0.2500  1.0
  Pt  Pt4  8  0.0000  0.1962  0.1014  1.0
]