data_NaCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   148.78
_cell_angle_beta   127.71
_cell_angle_gamma   62.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2P
_chemical_formula_sum   'Na1 Cu2 P1'
_cell_volume   63.82
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.45  0.0  0.75  1.0
  Cu  Cu1  1  0.0  0.38  0.88  1.0
  P  P3  1  0.0  0.0  0.62  1.0

data_NaCu2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.76
_cell_length_c   5.4
_cell_angle_alpha   116.14
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2P
_chemical_formula_sum   'Na1 Cu2 P1'
_cell_volume   63.82
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.75  0.29  1.0
  Cu  Cu2  1  0.62  0.5  0.5  1.0
  P  P3  1  0.0  0.62  0.62  1.0

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