data_[Pa2Mn10Al14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9383]
_cell_length_b [8.7692]
_cell_length_c [8.7056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [PaMn5Al7]
_chemical_formula_sum '[Pa2 Mn10 Al14]'
_cell_volume [376.9933]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.0124  1
  Mn  Mn1  8  0.2354  0.2488  0.2468  1
  Mn  Mn2  2  0.0000  0.5000  0.7258  1
  Al  Al3  4  0.0000  0.2874  0.5053  1
  Al  Al4  4  0.0000  0.3454  0.9878  1
  Al  Al5  2  0.0000  0.0000  0.3508  1
  Al  Al6  2  0.0000  0.0000  0.6609  1
  Al  Al7  2  0.0000  0.5000  0.2767  1
]