data_CuAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgP2
_chemical_formula_sum   'Cu1 Ag1 P2'
_cell_volume   62.02
_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  0.8  0.0  0.0  1.0
  P  P2  1  0.4  0.97  0.41  1.0
  P  P3  1  0.4  0.03  0.41  1.0

data_CuAgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   109.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgP2
_chemical_formula_sum   'Cu1 Ag1 P2'
_cell_volume   62.02
_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  0.0  0.8  0.0  1.0
  P  P2  1  0.41  0.4  0.03  1.0
  P  P3  1  0.41  0.4  0.97  1.0

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