data_[Y16Tm2In4]
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 [C2/m]
_cell_length_a [8.9131]
_cell_length_b [15.1155]
_cell_length_c [5.6489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8TmIn2]
_chemical_formula_sum '[Y16 Tm2 In4]'
_cell_volume [691.0294]
_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  8  0.2084  0.8848  0.1193  1
  Y  Y1  4  0.0000  0.2165  0.5000  1
  Y  Y2  4  0.0986  0.5000  0.2970  1
  Tm  Tm3  2  0.0000  0.0000  0.5000  1
  In  In4  4  0.0000  0.3065  0.0000  1
]