data_[Ce4Tm4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4437]
_cell_length_b [3.6860]
_cell_length_c [7.7293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTmRu]
_chemical_formula_sum '[Ce4 Tm4 Ru4]'
_cell_volume [296.2615]
_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  0.0958  0.5000  0.8938  1.0
  Tm  Tm1  4  0.1610  0.0000  0.5603  1.0
  Ru  Ru2  4  0.1363  0.0000  0.1654  1.0
]