data_[Ce4Tm16In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7679]
_cell_length_b [14.7277]
_cell_length_c [9.9355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CeTm4In]
_chemical_formula_sum '[Ce4 Tm16 In4]'
_cell_volume [697.6793]
_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  0.0000  0.3327  0.2914  1.0
  Tm  Tm1  4  0.0000  0.0006  0.3031  1.0
  Tm  Tm2  4  0.0000  0.1745  0.5571  1.0
  Tm  Tm3  4  0.0000  0.3328  0.8100  1.0
  Tm  Tm4  4  0.0000  0.4954  0.5520  1.0
  In  In5  4  0.0000  0.1634  0.0530  1.0
]