data_[Pa2Mn2Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9649]
_cell_length_b [5.7542]
_cell_length_c [6.5312]
_cell_angle_alpha [71.5208]
_cell_angle_beta [77.5851]
_cell_angle_gamma [80.7816]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PaMnMo]
_chemical_formula_sum '[Pa2 Mn2 Mo2]'
_cell_volume [102.6989]
_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  0.0384  0.5595  0.7279  1
  Mn  Mn1  2  0.2019  0.8013  0.0195  1
  Mo  Mo2  2  0.4095  0.9341  0.3353  1
]