data_[Er4Tm16Al4]
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 [Cmc2_1]
_cell_length_a [5.2385]
_cell_length_b [11.7927]
_cell_length_c [10.7907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErTm4Al]
_chemical_formula_sum '[Er4 Tm16 Al4]'
_cell_volume [666.6004]
_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  0.3209  0.2679  1.0
  Tm  Tm1  4  0.0000  0.0004  0.3024  1.0
  Tm  Tm2  4  0.0000  0.1824  0.5530  1.0
  Tm  Tm3  4  0.0000  0.3214  0.8381  1.0
  Tm  Tm4  4  0.0000  0.4742  0.5533  1.0
  Al  Al5  4  0.0000  0.1530  0.0520  1.0
]