data_[In1Pb1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8234]
_cell_length_b [5.5108]
_cell_length_c [17.4092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [104.8197]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InPbF3]
_chemical_formula_sum '[In1 Pb1 F3]'
_cell_volume [354.6085]
_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
[
  In  In0  1  0.2658  0.3956  0.4234  1
  Pb  Pb1  1  0.8749  0.8542  0.5617  1
  F  F2  1  0.2587  0.5655  0.5571  1
  F  F3  1  0.4597  0.0992  0.5161  1
  F  F4  1  0.8161  0.7128  0.4418  1
]