data_[Pa1Mn2Al1O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2090]
_cell_length_b [5.2821]
_cell_length_c [5.5914]
_cell_angle_alpha [62.2814]
_cell_angle_beta [63.8390]
_cell_angle_gamma [61.0946]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PaMn2AlO6]
_chemical_formula_sum '[Pa1 Mn2 Al1 O6]'
_cell_volume [114.4956]
_cell_formula_units_Z [1]
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  1  0.8184  0.8174  0.5483  1
  Mn  Mn1  1  0.0221  0.0142  0.9552  1
  Mn  Mn2  1  0.5148  0.5159  0.4488  1
  Al  Al3  1  0.3143  0.3235  0.0462  1
  O  O4  1  0.1308  0.3998  0.7658  1
  O  O5  1  0.2273  0.9536  0.2332  1
  O  O6  1  0.4165  0.6874  0.7643  1
  O  O7  1  0.5650  0.2311  0.2575  1
  O  O8  1  0.7093  0.1267  0.7646  1
  O  O9  1  0.9431  0.5921  0.2314  1
]