data_[Y1Tm3Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4643]
_cell_length_b [5.4643]
_cell_length_c [9.0882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YTm3Ga8]
_chemical_formula_sum '[Y1 Tm3 Ga8]'
_cell_volume [235.0031]
_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  0.4310  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0684  1.0
  Tm  Tm2  1  0.6667  0.3333  0.5702  1.0
  Tm  Tm3  1  0.6667  0.3333  0.9313  1.0
  Ga  Ga4  3  0.1608  0.8392  0.7511  1.0
  Ga  Ga5  3  0.5058  0.0115  0.2483  1.0
  Ga  Ga6  1  0.3333  0.6667  0.5008  1.0
  Ga  Ga7  1  0.3333  0.6667  0.9999  1.0
]