data_[Tb8Y2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4439]
_cell_length_b [3.9851]
_cell_length_c [12.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tb4YSe7]
_chemical_formula_sum '[Tb8 Y2 Se14]'
_cell_volume [634.6714]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.9998  1
  Tb  Tb1  2  0.1127  0.0000  0.4223  1
  Tb  Tb2  2  0.2003  0.5000  0.8123  1
  Tb  Tb3  2  0.3000  0.0000  0.1880  1
  Y  Y4  2  0.3871  0.5000  0.5779  1
  Se  Se5  2  0.0400  0.0000  0.7840  1
  Se  Se6  2  0.1600  0.5000  0.0503  1
  Se  Se7  2  0.2415  0.5000  0.3519  1
  Se  Se8  2  0.2588  0.0000  0.6482  1
  Se  Se9  2  0.3401  0.0000  0.9498  1
  Se  Se10  2  0.4600  0.5000  0.2155  1
  Se  Se11  2  0.4994  0.0000  0.4999  1
]