data_[Y8Tm4In12]
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 [Cmmm]
_cell_length_a [5.0096]
_cell_length_b [14.9772]
_cell_length_c [8.4068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y2TmIn3]
_chemical_formula_sum '[Y8 Tm4 In12]'
_cell_volume [630.7612]
_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  0.0000  0.3336  0.5000  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Tm  Tm3  4  0.0000  0.3323  0.0000  1
  In  In4  8  0.0000  0.1673  0.2480  1
  In  In5  4  0.0000  0.5000  0.2477  1
]