data_CuAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.24
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   92.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgP2
_chemical_formula_sum   'Cu1 Ag1 P2'
_cell_volume   64.74
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.49  0.0  0.36  1.0
  P  P2  1  0.18  0.12  0.92  1.0
  P  P3  1  0.81  0.12  0.81  1.0

data_CuAgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.24
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   92.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgP2
_chemical_formula_sum   'Cu1 Ag1 P2'
_cell_volume   64.74
_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  0.0  0.0  1.0
  Ag  Ag1  1  0.49  0.0  0.36  1.0
  P  P2  1  0.18  0.12  0.92  1.0
  P  P3  1  0.81  0.12  0.81  1.0

Cu Ag P P
Cu Ag P P 0 2 o o - 0 1 o o o 0 1 - o o 0 3 - o - 1 2 o o - 1 3 o o o 2 3 - o o 