data_[Y2Tm2Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2764]
_cell_length_b [6.1053]
_cell_length_c [8.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [YTmSn2]
_chemical_formula_sum '[Y2 Tm2 Sn4]'
_cell_volume [217.8958]
_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  0.0000  0.1253  0.6825  1.0
  Tm  Tm1  2  0.5000  0.3762  0.3176  1.0
  Sn  Sn2  2  0.0000  0.4087  0.0447  1.0
  Sn  Sn3  2  0.5000  0.0887  0.9552  1.0
]