data_AsF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   4.58
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsF3
_chemical_formula_sum   'As4 F12'
_cell_volume   184.63
_cell_formula_units_Z   4
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
  As  As0  1  0.88  0.21  0.78  1.0
  As  As1  1  0.26  0.37  0.5  1.0
  As  As2  1  0.19  0.51  0.5  1.0
  As  As3  1  0.95  0.08  0.78  1.0
  F  F4  1  0.23  0.13  0.47  1.0
  F  F5  1  0.9  0.46  0.19  1.0
  F  F6  1  0.83  0.84  0.19  1.0
  F  F7  1  0.3  0.75  0.47  1.0
  F  F8  1  0.1  0.6  0.66  1.0
  F  F9  1  0.04  0.98  0.37  1.0
  F  F10  1  0.97  0.89  0.37  1.0
  F  F11  1  0.17  0.69  0.66  1.0
  F  F12  1  0.95  0.98  0.4  1.0
  F  F13  1  0.19  0.6  0.12  1.0
  F  F14  1  0.12  0.69  0.12  1.0
  F  F15  1  0.02  0.89  0.4  1.0

data_AsF3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   6.14
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsF3
_chemical_formula_sum   'As4 F12'
_cell_volume   184.63
_cell_formula_units_Z   4
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
  As  As0  1  0.49  0.81  0.5  1.0
  As  As1  1  0.63  0.74  0.5  1.0
  As  As2  1  0.79  0.12  0.22  1.0
  As  As3  1  0.92  0.05  0.22  1.0
  F  F4  1  0.02  0.05  0.6  1.0
  F  F5  1  0.02  0.96  0.63  1.0
  F  F6  1  0.11  0.03  0.63  1.0
  F  F7  1  0.11  0.98  0.6  1.0
  F  F8  1  0.16  0.17  0.81  1.0
  F  F9  1  0.25  0.7  0.53  1.0
  F  F10  1  0.31  0.88  0.88  1.0
  F  F11  1  0.31  0.83  0.34  1.0
  F  F12  1  0.4  0.9  0.34  1.0
  F  F13  1  0.4  0.81  0.88  1.0
  F  F14  1  0.54  0.1  0.81  1.0
  F  F15  1  0.87  0.77  0.53  1.0

As As As As F F F F F F F F F F F F
As As As As F F F F F F F F F F F F 0 3 o o o 1 2 o o o 1 4 o o o 2 7 o o o 5 6 o o o 5 14 + o o 5 13 + o o 6 14 + o o 6 15 + o o 6 9 + o o 6 12 o o o 6 10 o o o 7 11 o o o 8 11 o o o 9 15 o o o 10 15 + o o 10 12 o o o 13 14 o o o 