data_[Pa6Te4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0857]
_cell_length_b [7.2009]
_cell_length_c [8.6402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pa3(TeSe)2]
_chemical_formula_sum '[Pa6 Te4 Se4]'
_cell_volume [427.4575]
_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  0.2597  0.5252  0.2444  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.1590  0.1671  0.3831  1
  Se  Se3  4  0.3712  0.6663  0.6042  1
]