data_[Er6Tm6Al2]
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 [P2_1/m]
_cell_length_a [8.5694]
_cell_length_b [5.3673]
_cell_length_c [9.5087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er3Tm3Al]
_chemical_formula_sum '[Er6 Tm6 Al2]'
_cell_volume [393.3951]
_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  2  0.1047  0.2500  0.4711  1.0
  Er  Er1  2  0.3928  0.2500  0.8611  1.0
  Er  Er2  2  0.4832  0.7500  0.4159  1.0
  Tm  Tm3  2  0.0576  0.7500  0.2297  1.0
  Tm  Tm4  2  0.1732  0.7500  0.9169  1.0
  Tm  Tm5  2  0.2794  0.2500  0.1660  1.0
  Al  Al6  2  0.3082  0.7500  0.6407  1.0
]