data_[Tm3Hf1Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3543]
_cell_length_b [4.7722]
_cell_length_c [9.5780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Tm3HfCu4]
_chemical_formula_sum '[Tm3 Hf1 Cu4]'
_cell_volume [153.3161]
_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
[
  Tm  Tm0  2  0.5000  0.0000  0.2482  1
  Tm  Tm1  1  0.5000  0.5000  0.5000  1
  Hf  Hf2  1  0.5000  0.5000  0.0000  1
  Cu  Cu3  2  0.0000  0.5000  0.2307  1
  Cu  Cu4  1  0.0000  0.0000  0.0000  1
  Cu  Cu5  1  0.0000  0.0000  0.5000  1
]