data_[Pa4Tl4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.7133]
_cell_length_b [10.0584]
_cell_length_c [7.7535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pa2Tl2Se7]
_chemical_formula_sum '[Pa4 Tl4 Se14]'
_cell_volume [679.5241]
_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
[
  Pa  Pa0  4  0.0000  0.2757  0.0000  1
  Tl  Tl1  4  0.2148  0.0000  0.5000  1
  Se  Se2  8  0.2500  0.2500  0.2325  1
  Se  Se3  4  0.0000  0.5000  0.2265  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]