data_[Ce2Er10In12]
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 [Cmmm]
_cell_length_a [5.3093]
_cell_length_b [15.9646]
_cell_length_c [7.5042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CeEr5In6]
_chemical_formula_sum '[Ce2 Er10 In12]'
_cell_volume [636.0664]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.3324  0.0000  1
  Er  Er2  4  0.0000  0.3370  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  In  In4  8  0.0000  0.1702  0.2563  1
  In  In5  4  0.0000  0.5000  0.2545  1
]