data_[Er4Tm24Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1511]
_cell_length_b [13.0355]
_cell_length_c [7.1800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er(Tm2Pd)3]
_chemical_formula_sum '[Er4 Tm24 Pd12]'
_cell_volume [1043.6858]
_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  4  0.0000  0.3166  0.9597  1
  Tm  Tm1  8  0.1675  0.4606  0.3319  1
  Tm  Tm2  8  0.2280  0.1920  0.1793  1
  Tm  Tm3  4  0.0000  0.0336  0.8375  1
  Tm  Tm4  4  0.0000  0.2290  0.4810  1
  Pd  Pd5  8  0.1918  0.1033  0.5443  1
  Pd  Pd6  4  0.0000  0.4211  0.6257  1
]