data_CuTeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.38
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTeP2
_chemical_formula_sum   'Cu1 Te1 P2'
_cell_volume   70.3
_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  0.64  0.0  0.45  1.0
  Te  Te3  1  0.0  0.19  0.45  1.0
  P  P1  1  0.64  0.19  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_CuTeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.38
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTeP2
_chemical_formula_sum   'Cu1 Te1 P2'
_cell_volume   70.3
_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  0.64  0.0  0.45  1.0
  Te  Te1  1  0.0  0.19  0.45  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.64  0.19  -0.0  1.0

Cu Te P P
Cu Te P P 0 1 + o o 2 3 + o o 