data_[Tb1Ce2Pa1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8674]
_cell_length_b [3.9369]
_cell_length_c [6.8768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbCe2PaS4]
_chemical_formula_sum '[Tb1 Ce2 Pa1 S4]'
_cell_volume [175.6696]
_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  0.0000  0.0000  0.0000  1
  Ce  Ce1  1  0.5000  0.0000  0.5000  1
  Ce  Ce2  1  0.5000  0.5000  0.0000  1
  Pa  Pa3  1  0.0000  0.5000  0.5000  1
  S  S4  2  0.2406  0.5000  0.2465  1
  S  S5  2  0.2417  0.0000  0.7485  1
]