data_[Y2Tm3In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2250]
_cell_length_b [5.2250]
_cell_length_c [10.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Y2Tm3In4]
_chemical_formula_sum '[Y2 Tm3 In4]'
_cell_volume [241.5033]
_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  2  0.3333  0.6667  0.7761  1
  Tm  Tm1  2  0.3333  0.6667  0.4271  1
  Tm  Tm2  1  0.0000  0.0000  0.0000  1
  In  In3  2  0.0000  0.0000  0.3452  1
  In  In4  2  0.3333  0.6667  0.1014  1
]