data_[Pa6Zn48Mo3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.1250]
_cell_length_b [9.1250]
_cell_length_c [12.8406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pa2Zn16Mo]
_chemical_formula_sum '[Pa6 Zn48 Mo3]'
_cell_volume [925.9428]
_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
[
  Pa  Pa0  3  0.0000  0.0000  0.3409  1
  Pa  Pa1  3  0.0000  0.0000  0.6928  1
  Zn  Zn2  18  0.0001  0.2889  0.9976  1
  Zn  Zn3  9  0.0145  0.5073  0.1502  1
  Zn  Zn4  9  0.1724  0.3447  0.8337  1
  Zn  Zn5  9  0.1751  0.3502  0.1855  1
  Zn  Zn6  3  0.0000  0.0000  0.0955  1
  Mo  Mo7  3  0.0000  0.0000  0.8771  1
]