data_[Er4Tm12Al4]
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 [12.8056]
_cell_length_b [3.5091]
_cell_length_c [12.3018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTm3Al]
_chemical_formula_sum '[Er4 Tm12 Al4]'
_cell_volume [550.2913]
_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  0.2257  0.0000  0.7493  1.0
  Tm  Tm1  4  0.0344  0.0000  0.1934  1.0
  Tm  Tm2  4  0.1356  0.5000  0.9799  1.0
  Tm  Tm3  4  0.1413  0.0000  0.4505  1.0
  Al  Al4  4  0.0504  0.5000  0.6237  1.0
]