data_[Sr12Y3Pa9As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5034]
_cell_length_b [8.5034]
_cell_length_c [21.3710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr4YPa3As8]
_chemical_formula_sum '[Sr12 Y3 Pa9 As24]'
_cell_volume [1338.2628]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  9  0.0000  0.5000  0.0000  1
  Sr  Sr1  3  -0.0000  -0.0000  0.0000  1
  Y  Y2  3  0.0000  0.0000  0.5000  1
  Pa  Pa3  9  0.0000  0.5000  0.5000  1
  As  As4  18  0.0064  0.5032  0.7605  1
  As  As5  6  0.0000  0.0000  0.2394  1
]