data_[Y4Tm8In4]
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 [Amm2]
_cell_length_a [5.5273]
_cell_length_b [6.8779]
_cell_length_c [11.8499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YTm2In]
_chemical_formula_sum '[Y4 Tm8 In4]'
_cell_volume [450.4917]
_cell_formula_units_Z [4]
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  4  0.5000  0.2443  0.5858  1.0
  Tm  Tm1  4  0.0000  0.2447  0.4136  1.0
  Tm  Tm2  2  0.0000  0.0000  0.1698  1.0
  Tm  Tm3  2  0.5000  0.0000  0.8306  1.0
  In  In4  2  0.0000  0.0000  0.6674  1.0
  In  In5  2  0.5000  0.0000  0.3332  1.0
]