data_[K6Pa4Al2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7003]
_cell_length_b [13.5369]
_cell_length_c [8.2454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pa2AlAs6]
_chemical_formula_sum '[K6 Pa4 Al2 As12]'
_cell_volume [692.5789]
_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
[
  K  K0  4  0.0000  0.1730  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  4  0.0000  0.3467  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.1912  0.1621  0.1660  1
  As  As5  4  0.2438  0.5000  0.2094  1
]