data_[Tm6Mn3Zn36Cu9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4269]
_cell_length_b [5.4269]
_cell_length_c [36.1532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Mn(Zn4Cu)3]
_chemical_formula_sum '[Tm6 Mn3 Zn36 Cu9]'
_cell_volume [922.1201]
_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  6  0.0000  0.0000  0.3544  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  18  0.0001  0.5000  0.3882  1
  Zn  Zn3  18  0.0145  0.5073  0.1133  1
  Cu  Cu4  9  0.0000  0.5000  0.5000  1
]