data_[Y12Er4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2194]
_cell_length_b [3.7204]
_cell_length_c [13.8834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y3ErPd]
_chemical_formula_sum '[Y12 Er4 Pd4]'
_cell_volume [568.2995]
_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
[
  Y  Y0  2  0.1030  0.0000  0.3730  1
  Y  Y1  2  0.2589  0.5000  0.2456  1
  Y  Y2  2  0.2813  0.5000  0.6106  1
  Y  Y3  2  0.4311  0.0000  0.4850  1
  Y  Y4  2  0.4566  0.0000  0.8461  1
  Y  Y5  2  0.4920  0.5000  0.0837  1
  Er  Er6  2  0.1094  0.0000  0.7205  1
  Er  Er7  2  0.2219  0.0000  0.0054  1
  Pd  Pd8  2  0.2700  0.5000  0.8701  1
  Pd  Pd9  2  0.4366  0.0000  0.2183  1
]