data_[Er12Tm4Al4]
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 [C2/m]
_cell_length_a [12.7813]
_cell_length_b [3.5421]
_cell_length_c [12.2908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3TmAl]
_chemical_formula_sum '[Er12 Tm4 Al4]'
_cell_volume [554.0585]
_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  0.0347  0.0000  0.1938  1
  Er  Er1  4  0.1355  0.5000  0.9798  1
  Er  Er2  4  0.1411  0.0000  0.4500  1
  Tm  Tm3  4  0.2250  0.0000  0.7492  1
  Al  Al4  4  0.0520  0.5000  0.6238  1
]