data_[Tb4P1Au1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1341]
_cell_length_b [4.0462]
_cell_length_c [7.1823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4PAuSe2]
_chemical_formula_sum '[Tb4 P1 Au1 Se2]'
_cell_volume [196.3207]
_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  2  0.2378  0.5000  0.2353  1.0
  Tb  Tb1  2  0.2450  0.0000  0.7574  1.0
  P  P2  1  0.0000  0.0000  0.0000  1.0
  Au  Au3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  1  0.5000  0.0000  0.5000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]