data_[Tb1Y1Se3]
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 [Pm]
_cell_length_a [5.4008]
_cell_length_b [18.4974]
_cell_length_c [5.4479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TbYSe3]
_chemical_formula_sum '[Tb1 Y1 Se3]'
_cell_volume [544.2204]
_cell_formula_units_Z [1]
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  1  0.8248  0.0000  0.0444  1
  Y  Y1  1  0.3805  0.0000  0.4855  1
  Se  Se2  2  0.4218  0.0945  0.0874  1
  Se  Se3  1  0.8878  0.0000  0.5522  1
]