data_[La16Ce2Tm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.7670]
_cell_length_b [8.7670]
_cell_length_c [11.7319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La8CeTm3]
_chemical_formula_sum '[La16 Ce2 Tm6]'
_cell_volume [901.7052]
_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
[
  La  La0  8  0.1203  0.1203  0.7596  1
  La  La1  8  0.2331  0.2331  0.0228  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Tm  Tm3  4  0.0000  0.5000  0.2500  1
  Tm  Tm4  2  0.0000  0.0000  0.5000  1
]