data_CoCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   29.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2P
_chemical_formula_sum   'Co1 Cu2 P1'
_cell_volume   46.84
_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
  Co  Co0  1  0.72  0.0  0.9  1.0
  Cu  Cu1  1  0.0  0.0  0.55  1.0
  Cu  Cu2  1  0.72  0.0  0.68  1.0
  P  P3  1  0.0  0.0  0.25  1.0

data_CoCu2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.44
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   104.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2P
_chemical_formula_sum   'Co1 Cu2 P1'
_cell_volume   46.84
_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
  Co  Co0  1  0.1  0.72  0.1  1.0
  Cu  Cu1  1  0.32  0.72  0.32  1.0
  Cu  Cu2  1  0.45  0.0  0.45  1.0
  P  P3  1  0.75  0.0  0.75  1.0

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