data_[Ce4Tm12In4]
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 [C2/m]
_cell_length_a [15.9855]
_cell_length_b [5.3073]
_cell_length_c [6.6626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTm3In]
_chemical_formula_sum '[Ce4 Tm12 In4]'
_cell_volume [564.4165]
_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  0.0839  0.5000  0.4801  1.0
  Tm  Tm1  4  0.0063  0.0000  0.7555  1.0
  Tm  Tm2  4  0.1104  0.5000  0.9943  1.0
  Tm  Tm3  4  0.2038  0.0000  0.2656  1.0
  In  In4  4  0.2006  0.0000  0.7568  1.0
]