data_Lu3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3F
_chemical_formula_sum   'Lu6 F2'
_cell_volume   195.33
_cell_formula_units_Z   2
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
  Lu  Lu2  1  0.0  0.86  0.03  1.0
  Lu  Lu3  1  0.63  0.68  0.03  1.0
  Lu  Lu4  1  0.37  0.68  0.03  1.0
  Lu  Lu5  1  0.24  0.75  0.34  1.0
  Lu  Lu6  1  0.61  0.93  0.34  1.0
  Lu  Lu7  1  0.87  0.93  0.34  1.0
  F  F0  1  0.0  0.74  0.34  1.0
  F  F1  1  0.24  0.87  0.03  1.0

data_Lu3F
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.37
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Lu3F
_chemical_formula_sum   'Lu6 F2'
_cell_volume   195.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Lu  Lu0  2  0.16  0.12  0.44  1.0
  Lu  Lu1  2  0.16  0.49  0.62  1.0
  Lu  Lu2  2  0.16  0.75  0.62  1.0
  F  F3  2  0.16  0.88  0.44  1.0

Lu Lu Lu Lu Lu Lu F F