data_[Pa8Sb4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [7.6732]
_cell_length_b [6.4603]
_cell_length_c [8.4076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Pa2SbSe]
_chemical_formula_sum '[Pa8 Sb4 Se4]'
_cell_volume [416.7779]
_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
[
  Pa  Pa0  4  0.1480  0.7500  0.0000  1
  Pa  Pa1  4  0.3895  0.2500  0.0000  1
  Sb  Sb2  4  0.1206  0.0992  0.2500  1
  Se  Se3  4  0.3788  0.5805  0.2500  1
]