data_[Pa8As4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0596]
_cell_length_b [3.9336]
_cell_length_c [7.9932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2AsSe3]
_chemical_formula_sum '[Pa8 As4 Se12]'
_cell_volume [589.4501]
_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  0.0860  0.5000  0.1536  1
  Pa  Pa1  4  0.1976  0.0000  0.6959  1
  As  As2  4  0.1969  0.0000  0.3178  1
  Se  Se3  4  0.0275  0.0000  0.8417  1
  Se  Se4  4  0.0939  0.5000  0.5159  1
  Se  Se5  4  0.1809  0.5000  0.9506  1
]