data_[Er12Ge12Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3871]
_cell_length_b [20.8664]
_cell_length_c [7.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [ErGePd]
_chemical_formula_sum '[Er12 Ge12 Pd12]'
_cell_volume [696.1250]
_cell_formula_units_Z [12]
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  0.1670  0.4585  1.0
  Er  Er1  4  0.0000  0.3333  0.5351  1.0
  Er  Er2  2  0.0000  0.0000  0.5350  1.0
  Er  Er3  2  0.0000  0.5000  0.4518  1.0
  Ge  Ge4  4  0.0000  0.0656  0.1534  1.0
  Ge  Ge5  4  0.0000  0.2356  0.8371  1.0
  Ge  Ge6  4  0.0000  0.4068  0.1542  1.0
  Pd  Pd7  4  0.0000  0.1045  0.8265  1.0
  Pd  Pd8  4  0.0000  0.2668  0.1664  1.0
  Pd  Pd9  4  0.0000  0.4283  0.8221  1.0
]