data_Cu2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   3.59
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2AsP
_chemical_formula_sum   'Cu2 As1 P1'
_cell_volume   57.85
_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  Cu1  1  0.52  0.79  0.68  1.0
  Cu  Cu2  1  0.0  0.79  0.36  1.0
  As  As0  1  0.43  0.0  0.02  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Cu2AsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.59
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2AsP
_chemical_formula_sum   'Cu2 As1 P1'
_cell_volume   57.85
_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  0.0  0.79  0.36  1.0
  Cu  Cu1  1  0.52  0.79  0.68  1.0
  As  As2  1  0.43  0.0  0.02  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cu Cu As P
Cu Cu As P 0 1 o o o 0 1 + o o 0 3 o + + 0 3 + + + 0 2 o + + 0 0 + o o 1 3 o + o 1 2 - + o 1 2 o + o 1 1 + o o 2 3 o o o 