data_[Pm1Fe2Sn1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3766]
_cell_length_b [5.3776]
_cell_length_c [5.7288]
_cell_angle_alpha [62.1889]
_cell_angle_beta [89.3489]
_cell_angle_gamma [60.1587]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PmFe2SnO6]
_chemical_formula_sum '[Pm1 Fe2 Sn1 O6]'
_cell_volume [121.7043]
_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  0.7908  0.4169  0.3845  1
  Fe  Fe1  1  0.0101  0.9828  0.0271  1
  Fe  Fe2  1  0.5235  0.9480  0.5740  1
  Sn  Sn3  1  0.3176  0.3668  0.9499  1
  O  O4  1  0.1543  0.5006  0.2407  1
  O  O5  1  0.2331  0.8515  0.7694  1
  O  O6  1  0.3432  0.9160  0.2367  1
  O  O7  1  0.6329  0.1440  0.7760  1
  O  O8  1  0.7331  0.1017  0.2493  1
  O  O9  1  0.9231  0.4485  0.7772  1
]