data_[Er2Cd12In4]
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 [C2/m]
_cell_length_a [6.5866]
_cell_length_b [15.0367]
_cell_length_c [4.7604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(Cd3In)2]
_chemical_formula_sum '[Er2 Cd12 In4]'
_cell_volume [437.4663]
_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  0.0000  0.0000  0.0000  1
  Cd  Cd1  8  0.1701  0.3334  0.8209  1
  Cd  Cd2  4  0.1380  0.5000  0.3193  1
  In  In3  4  0.0000  0.1519  0.5000  1
]