data_[Er2Al4In2]
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 [Pmma]
_cell_length_a [5.7579]
_cell_length_b [4.1348]
_cell_length_c [7.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErAl2In]
_chemical_formula_sum '[Er2 Al4 In2]'
_cell_volume [177.2165]
_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  0.2500  0.0000  0.7373  1
  Al  Al1  2  0.0000  0.5000  0.0000  1
  Al  Al2  2  0.2500  0.0000  0.1515  1
  In  In3  2  0.2500  0.5000  0.4048  1
]