data_[Ce10Er2In4]
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 [Pbam]
_cell_length_a [6.8527]
_cell_length_b [13.7813]
_cell_length_c [4.6421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ce5ErIn2]
_chemical_formula_sum '[Ce10 Er2 In4]'
_cell_volume [438.3924]
_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  4  0.0366  0.7680  0.0000  1.0
  Ce  Ce1  4  0.2288  0.8616  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  In  In4  4  0.2369  0.6164  0.5000  1.0
]