data_[Er12Tm4Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.8844]
_cell_length_b [10.0527]
_cell_length_c [5.2329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Er6Tm2Al]
_chemical_formula_sum '[Er12 Tm4 Al2]'
_cell_volume [519.9651]
_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  0.0292  0.1841  0.0000  1.0
  Er  Er1  4  0.1297  0.6171  0.5000  1.0
  Er  Er2  4  0.1830  0.9505  0.5000  1.0
  Tm  Tm3  4  0.2033  0.2771  0.5000  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
]