data_[Y3Er3In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.8331]
_cell_length_b [4.8463]
_cell_length_c [9.6427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Y3Er3In2]
_chemical_formula_sum '[Y3 Er3 In2]'
_cell_volume [225.8604]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.0000  0.5000  0.5000  1
  Y  Y1  1  0.5000  0.0000  0.0000  1
  Y  Y2  1  0.5000  0.0000  0.5000  1
  Er  Er3  2  0.5000  0.5000  0.2482  1
  Er  Er4  1  0.0000  0.5000  0.0000  1
  In  In5  2  0.0000  0.0000  0.2495  1
]