data_[Tm6Mg3Zn48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9777]
_cell_length_b [8.9777]
_cell_length_c [13.2137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm2MgZn16]
_chemical_formula_sum '[Tm6 Mg3 Zn48]'
_cell_volume [922.3293]
_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  0.3387  1
  Tm  Tm1  3  0.0000  0.0000  0.6593  1
  Mg  Mg2  3  0.0000  0.0000  0.9064  1
  Zn  Zn3  18  0.0003  0.3002  0.9992  1
  Zn  Zn4  9  0.0091  0.5046  0.1504  1
  Zn  Zn5  9  0.1680  0.3360  0.8322  1
  Zn  Zn6  9  0.1730  0.3459  0.1802  1
  Zn  Zn7  3  0.0000  0.0000  0.1120  1
]