data_[Er16Al2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5078]
_cell_length_b [5.1332]
_cell_length_c [6.9845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8AlIn2]
_chemical_formula_sum '[Er16 Al2 In4]'
_cell_volume [616.7949]
_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  0.0285  0.0000  0.7554  1.0
  Er  Er1  4  0.0917  0.5000  0.4425  1.0
  Er  Er2  4  0.1614  0.5000  0.9350  1.0
  Er  Er3  4  0.1784  0.0000  0.2560  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  In  In5  4  0.2065  0.0000  0.7080  1.0
]