data_Cu3SbP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   6.53
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3SbP4
_chemical_formula_sum   'Cu6 Sb2 P8'
_cell_volume   312.61
_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
  Cu  Cu0  1  0.0  0.47  0.17  1.0
  Cu  Cu1  1  0.7  0.06  0.4  1.0
  Cu  Cu2  1  0.57  0.35  0.39  1.0
  Cu  Cu3  1  0.54  0.18  0.16  1.0
  Cu  Cu4  1  0.87  0.18  0.16  1.0
  Cu  Cu5  1  0.83  0.35  0.39  1.0
  Sb  Sb14  1  0.0  0.1  0.42  1.0
  Sb  Sb15  1  0.7  0.43  0.19  1.0
  P  P6  1  0.0  0.08  0.84  1.0
  P  P7  1  0.7  0.45  0.61  1.0
  P  P8  1  0.0  0.27  0.91  1.0
  P  P9  1  0.7  0.26  0.14  1.0
  P  P10  1  0.75  0.24  0.12  1.0
  P  P11  1  0.36  0.29  0.89  1.0
  P  P12  1  0.05  0.29  0.89  1.0
  P  P13  1  0.66  0.24  0.12  1.0

data_Cu3SbP4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.46
_cell_length_b   6.53
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3SbP4
_chemical_formula_sum   'Cu6 Sb2 P8'
_cell_volume   312.61
_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
  Cu  Cu0  1  0.6  0.94  0.3  1.0
  Cu  Cu1  1  0.61  0.65  0.17  1.0
  Cu  Cu2  1  0.61  0.65  0.43  1.0
  Cu  Cu3  1  0.83  0.53  0.0  1.0
  Cu  Cu4  1  0.84  0.82  0.13  1.0
  Cu  Cu5  1  0.84  0.82  0.46  1.0
  Sb  Sb6  1  0.58  0.9  0.0  1.0
  Sb  Sb7  1  0.81  0.57  0.3  1.0
  P  P8  1  0.09  0.73  0.0  1.0
  P  P9  1  0.11  0.71  0.64  1.0
  P  P10  1  0.11  0.71  0.95  1.0
  P  P11  1  0.16  0.92  0.0  1.0
  P  P12  1  0.39  0.55  0.3  1.0
  P  P13  1  0.86  0.74  0.3  1.0
  P  P14  1  0.88  0.76  0.25  1.0
  P  P15  1  0.88  0.76  0.34  1.0

Cu Cu Cu Cu Cu Cu Sb Sb P P P P P P P P