data_[Sm4Tm4Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6143]
_cell_length_b [25.0505]
_cell_length_c [4.2210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmTmCu3]
_chemical_formula_sum '[Sm4 Tm4 Cu12]'
_cell_volume [382.1662]
_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
[
  Sm  Sm0  4  0.0000  0.0726  0.2500  1.0
  Tm  Tm1  4  0.0000  0.2054  0.7500  1.0
  Cu  Cu2  4  0.0000  0.3249  0.7500  1.0
  Cu  Cu3  4  0.0000  0.3793  0.2500  1.0
  Cu  Cu4  4  0.0000  0.4763  0.2500  1.0
]