data_Cu3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3P
_chemical_formula_sum   'Cu3 P1'
_cell_volume   49.83
_cell_formula_units_Z   1
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  1.0  0.53  0.04  1.0
  Cu  Cu1  1  1.0  0.53  0.13  1.0
  Cu  Cu2  1  0.0  0.0  0.09  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Cu3P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.65
_cell_length_b   4.6
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu3P
_chemical_formula_sum   'Cu6 P2'
_cell_volume   99.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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
  Cu  Cu0  2  0.0  0.0  0.09  1.0
  Cu  Cu1  2  0.03  0.5  0.04  1.0
  Cu  Cu2  2  0.03  0.5  0.13  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Cu Cu Cu P
Cu Cu Cu P 0 1 o o o 2 3 o o o 