data_[Pm1V1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1946]
_cell_length_b [5.3369]
_cell_length_c [5.6344]
_cell_angle_alpha [62.6214]
_cell_angle_beta [89.9310]
_cell_angle_gamma [62.3435]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PmV(FeO3)2]
_chemical_formula_sum '[Pm1 V1 Fe2 O6]'
_cell_volume [118.3000]
_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  0.1921  0.5780  0.6180  1
  V  V1  1  0.6785  0.6257  0.0429  1
  Fe  Fe2  1  0.4686  0.0507  0.4258  1
  Fe  Fe3  1  0.9790  0.0282  0.9682  1
  O  O4  1  0.0661  0.1951  0.2046  1
  O  O5  1  0.2760  0.0710  0.7697  1
  O  O6  1  0.4242  0.5306  0.2374  1
  O  O7  1  0.6373  0.5245  0.7566  1
  O  O8  1  0.7840  0.8325  0.2307  1
  O  O9  1  0.8325  0.8869  0.7613  1
]