data_LiCu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2F5
_chemical_formula_sum   'Li2 Cu4 F10'
_cell_volume   200.1
_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
  Li  Li0  1  0.94  0.19  0.42  1.0
  Li  Li1  1  0.94  0.81  0.47  1.0
  Cu  Cu2  1  0.94  0.82  0.26  1.0
  Cu  Cu3  1  0.94  0.82  0.68  1.0
  Cu  Cu4  1  0.94  0.18  0.63  1.0
  Cu  Cu5  1  0.94  0.18  0.21  1.0
  F  F6  1  0.94  0.54  0.04  1.0
  F  F7  1  0.94  0.54  0.8  1.0
  F  F8  1  0.94  0.83  0.63  1.0
  F  F9  1  0.94  0.83  0.2  1.0
  F  F10  1  0.94  0.93  0.47  1.0
  F  F11  1  0.94  0.07  0.42  1.0
  F  F12  1  0.94  0.17  0.68  1.0
  F  F13  1  0.94  0.17  0.26  1.0
  F  F14  1  0.94  0.46  0.85  1.0
  F  F15  1  0.94  0.46  0.09  1.0

data_LiCu2F5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.87
_cell_length_b   5.57
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.34
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiCu2F5
_chemical_formula_sum   'Li2 Cu4 F10'
_cell_volume   200.1
_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
  Li  Li0  2  0.19  0.69  0.03  1.0
  Cu  Cu1  2  0.18  0.68  0.24  1.0
  Cu  Cu2  2  0.18  0.68  0.82  1.0
  F  F3  2  0.07  0.57  0.03  1.0
  F  F4  2  0.17  0.67  0.18  1.0
  F  F5  2  0.17  0.67  0.76  1.0
  F  F6  2  0.46  0.96  0.35  1.0
  F  F7  2  0.46  0.96  0.59  1.0

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