data_[Ce1Tm2In3]
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 [P4/mmm]
_cell_length_a [3.5302]
_cell_length_b [3.5302]
_cell_length_c [13.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CeTm2In3]
_chemical_formula_sum '[Ce1 Tm2 In3]'
_cell_volume [168.8677]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Tm  Tm1  2  0.5000  0.5000  0.1615  1.0
  In  In2  2  0.0000  0.0000  0.3251  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
]