data_[Y1Tm3Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4923]
_cell_length_b [5.4923]
_cell_length_c [8.6497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YTm3Zn8]
_chemical_formula_sum '[Y1 Tm3 Zn8]'
_cell_volume [225.9660]
_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
[
  Y  Y0  1  0.0000  0.0000  0.5603  1
  Tm  Tm1  1  0.0000  0.0000  0.9419  1
  Tm  Tm2  1  0.6667  0.3333  0.0591  1
  Tm  Tm3  1  0.6667  0.3333  0.4393  1
  Zn  Zn4  3  0.1641  0.3283  0.2489  1
  Zn  Zn5  3  0.5029  0.0058  0.7508  1
  Zn  Zn6  1  0.3333  0.6667  0.0002  1
  Zn  Zn7  1  0.3333  0.6667  0.5002  1
]