data_[Tm4Pa4Ag4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pa  1.5000  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8558]
_cell_length_b [8.0628]
_cell_length_c [11.2283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TmPaAgS4]
_chemical_formula_sum '[Tm4 Pa4 Ag4 S16]'
_cell_volume [711.1979]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  4  0.2500  0.2500  0.2500  1
  Pa  Pa1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.2500  0.6325  1
  S  S3  8  0.0000  0.0187  0.2411  1
  S  S4  8  0.2353  0.2500  0.0084  1
]