data_Li3CuP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56
_cell_length_b   11.56
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuP3
_chemical_formula_sum   'Li12 Cu4 P12'
_cell_volume   589.9
_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
  Li  Li4  1  0.5  0.44  0.0  1.0
  Li  Li5  1  0.07  0.13  0.0  1.0
  Li  Li6  1  0.34  0.71  0.21  1.0
  Li  Li7  1  0.22  0.85  0.21  1.0
  Li  Li8  1  0.85  0.22  0.21  1.0
  Li  Li9  1  0.71  0.34  0.21  1.0
  Li  Li10  1  0.44  0.5  0.0  1.0
  Li  Li11  1  0.13  0.07  0.0  1.0
  Li  Li12  1  0.42  0.42  0.0  1.0
  Li  Li13  1  0.14  0.14  0.0  1.0
  Li  Li14  1  0.36  0.21  0.21  1.0
  Li  Li15  1  0.21  0.36  0.21  1.0
  Cu  Cu0  1  0.4  0.4  0.0  1.0
  Cu  Cu1  1  0.16  0.16  0.0  1.0
  Cu  Cu2  1  0.38  0.19  0.21  1.0
  Cu  Cu3  1  0.19  0.38  0.21  1.0
  P  P16  1  0.24  0.78  0.0  1.0
  P  P17  1  0.33  0.78  0.0  1.0
  P  P18  1  0.0  0.02  0.21  1.0
  P  P19  1  0.56  0.55  0.21  1.0
  P  P20  1  0.55  0.56  0.21  1.0
  P  P21  1  0.02  0.0  0.21  1.0
  P  P22  1  0.78  0.24  0.0  1.0
  P  P23  1  0.78  0.33  0.0  1.0
  P  P24  1  0.98  0.59  0.0  1.0
  P  P25  1  0.59  0.98  0.0  1.0
  P  P26  1  0.76  0.76  0.21  1.0
  P  P27  1  0.81  0.81  0.21  1.0

data_Li3CuP3
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   16.35
_cell_length_b   16.35
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Li3CuP3
_chemical_formula_sum   'Li24 Cu8 P24'
_cell_volume   1179.8
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  8  0.03  0.31  -0.0  1.0
  Li  Li1  8  0.19  0.75  0.21  1.0
  Li  Li2  4  0.0  0.36  -0.0  1.0
  Li  Li3  4  0.08  0.5  0.21  1.0
  Cu  Cu4  4  0.0  0.38  -0.0  1.0
  Cu  Cu5  4  0.1  0.5  0.21  1.0
  P  P6  8  0.01  0.23  0.21  1.0
  P  P7  8  0.23  0.23  -0.0  1.0
  P  P8  4  0.0  0.02  0.21  1.0
  P  P9  4  0.19  0.0  -0.0  1.0

Li Li Li Li Li Li Li Li Li Li Li Li Cu Cu Cu Cu P P P P P P P P P P P P