data_[Er2Cd3In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5725]
_cell_length_b [4.6552]
_cell_length_c [9.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Er2(CdIn)3]
_chemical_formula_sum '[Er2 Cd3 In3]'
_cell_volume [192.7817]
_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
[
  Er  Er0  2  0.0000  0.0000  0.2511  1.0
  Cd  Cd1  2  0.5000  0.5000  0.2454  1.0
  Cd  Cd2  1  0.0000  0.5000  0.0000  1.0
  In  In3  1  0.0000  0.5000  0.5000  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  In  In5  1  0.5000  0.0000  0.5000  1.0
]