data_[Pm1Mn1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3094]
_cell_length_b [5.3274]
_cell_length_c [5.5613]
_cell_angle_alpha [61.5176]
_cell_angle_beta [89.4395]
_cell_angle_gamma [62.2032]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PmMn(FeO3)2]
_chemical_formula_sum '[Pm1 Mn1 Fe2 O6]'
_cell_volume [117.6463]
_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
[
  Pm  Pm0  1  0.2039  0.5849  0.6310  1
  Mn  Mn1  1  0.6780  0.6434  0.0483  1
  Fe  Fe2  1  0.4726  0.0569  0.4222  1
  Fe  Fe3  1  0.9844  0.0359  0.9583  1
  O  O4  1  0.1195  0.1272  0.2291  1
  O  O5  1  0.2527  0.0996  0.7235  1
  O  O6  1  0.3944  0.5197  0.2318  1
  O  O7  1  0.6483  0.5139  0.7738  1
  O  O8  1  0.7605  0.8459  0.2410  1
  O  O9  1  0.8241  0.8959  0.7562  1
]