data_[Tm2Ga7Cu12]
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 [P-3]
_cell_length_a [9.8161]
_cell_length_b [9.8161]
_cell_length_c [3.8321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tm2Ga7Cu12]
_chemical_formula_sum '[Tm2 Ga7 Cu12]'
_cell_volume [319.7771]
_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  0.3333  0.6667  0.2417  1
  Ga  Ga1  6  0.1186  0.7053  0.7391  1
  Ga  Ga2  1  0.0000  0.0000  0.5000  1
  Cu  Cu3  6  0.0546  0.4307  0.7569  1
  Cu  Cu4  6  0.1216  0.2629  0.2306  1
]