data_[Y2Tm6In4]
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 [Pmc2_1]
_cell_length_a [5.1042]
_cell_length_b [9.7314]
_cell_length_c [6.7037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [YTm3In2]
_chemical_formula_sum '[Y2 Tm6 In4]'
_cell_volume [332.9841]
_cell_formula_units_Z [2]
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  0.5000  0.4608  0.5415  1
  Tm  Tm1  2  0.0000  0.0397  0.4594  1
  Tm  Tm2  2  0.0000  0.3122  0.8229  1
  Tm  Tm3  2  0.5000  0.1831  0.1776  1
  In  In4  2  0.0000  0.3617  0.2903  1
  In  In5  2  0.5000  0.1380  0.7084  1
]