data_[Pr4Pa4Mn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0414]
_cell_length_b [6.0270]
_cell_length_c [8.4193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrPaMn]
_chemical_formula_sum '[Pr4 Pa4 Mn4]'
_cell_volume [287.2179]
_cell_formula_units_Z [4]
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
[
  Pr  Pr0  4  0.1818  0.5000  0.3403  1
  Pa  Pa1  4  0.1164  0.0000  0.1952  1
  Mn  Mn2  4  0.2500  0.2500  0.0000  1
]