data_[Y8Tm2Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3617]
_cell_length_b [3.9663]
_cell_length_c [12.1821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y4TmSe7]
_chemical_formula_sum '[Y8 Tm2 Se14]'
_cell_volume [625.0552]
_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  0.1127  0.0000  0.4231  1
  Y  Y1  2  0.1999  0.5000  0.8119  1
  Y  Y2  2  0.2999  0.0000  0.1883  1
  Y  Y3  2  0.4997  0.5000  0.9989  1
  Tm  Tm4  2  0.3870  0.5000  0.5775  1
  Se  Se5  2  0.0386  0.0000  0.7821  1
  Se  Se6  2  0.1597  0.5000  0.0504  1
  Se  Se7  2  0.2428  0.5000  0.3543  1
  Se  Se8  2  0.2614  0.0000  0.6472  1
  Se  Se9  2  0.3396  0.0000  0.9493  1
  Se  Se10  2  0.4605  0.5000  0.2154  1
  Se  Se11  2  0.4983  0.0000  0.5016  1
]