data_[Sm1Re1O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6037]
_cell_length_b [5.0767]
_cell_length_c [5.4605]
_cell_angle_alpha [89.9325]
_cell_angle_beta [66.5228]
_cell_angle_gamma [84.0831]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmRe(O2F)2]
_chemical_formula_sum '[Sm1 Re1 O4 F2]'
_cell_volume [116.3184]
_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
[
  Sm  Sm0  1  0.5066  0.1675  0.9133  1.0
  Re  Re1  1  0.3168  0.6826  0.4948  1.0
  O  O2  1  0.2612  0.4101  0.3169  1.0
  O  O3  1  0.3539  0.7511  0.8068  1.0
  O  O4  1  0.5805  0.8616  0.2455  1.0
  O  O5  1  0.9505  0.8741  0.5760  1.0
  F  F6  1  0.6451  0.3611  0.5203  1.0
  F  F7  1  0.9984  0.2790  0.9006  1.0
]