data_[Tm4Mg2Cu6]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7333]
_cell_length_b [4.7333]
_cell_length_c [11.5162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tm2MgCu3]
_chemical_formula_sum '[Tm4 Mg2 Cu6]'
_cell_volume [223.4445]
_cell_formula_units_Z [2]
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  0.1774  1
  Tm  Tm1  1  0.0000  0.0000  0.0000  1
  Tm  Tm2  1  0.0000  0.0000  0.5000  1
  Mg  Mg3  2  0.3333  0.6667  0.6644  1
  Cu  Cu4  2  0.0000  0.0000  0.2526  1
  Cu  Cu5  2  0.3333  0.6667  0.4229  1
  Cu  Cu6  2  0.3333  0.6667  0.9175  1
]