data_[Ce8Er4In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8497]
_cell_length_b [4.8976]
_cell_length_c [10.5126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2ErIn2]
_chemical_formula_sum '[Ce8 Er4 In8]'
_cell_volume [555.5986]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  4  0.0635  0.0000  0.3895  1.0
  Ce  Ce1  4  0.1236  0.0000  0.0473  1.0
  Er  Er2  4  0.2387  0.0000  0.7388  1.0
  In  In3  4  0.0523  0.5000  0.8405  1.0
  In  In4  4  0.1372  0.5000  0.5702  1.0
]