data_[Pa4As12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7012]
_cell_length_b [7.6583]
_cell_length_c [5.3626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaAs3]
_chemical_formula_sum '[Pa4 As12]'
_cell_volume [342.5588]
_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  0.1717  0.5000  0.8115  1
  As  As1  8  0.1306  0.3090  0.2725  1
  As  As2  4  0.0117  0.0000  0.7486  1
]