data_[Tm9Ga3Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1271]
_cell_length_b [5.1271]
_cell_length_c [25.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3GaCu8]
_chemical_formula_sum '[Tm9 Ga3 Cu24]'
_cell_volume [574.5968]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3789  1.0
  Tm  Tm1  3  0.0000  0.0000  0.5056  1.0
  Tm  Tm2  3  0.0000  0.0000  0.9926  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8688  1.0
  Cu  Cu4  9  0.0001  0.5001  0.4383  1.0
  Cu  Cu5  9  0.0048  0.5024  0.9378  1.0
  Cu  Cu6  3  0.0000  0.0000  0.1885  1.0
  Cu  Cu7  3  0.0000  0.0000  0.6873  1.0
]