data_CuNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   4.17
_cell_angle_alpha   127.6
_cell_angle_beta   127.6
_cell_angle_gamma   77.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi2P
_chemical_formula_sum   'Cu1 Ni2 P1'
_cell_volume   44.04
_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  0.25  1.0
  Ni  Ni1  1  0.0  0.84  0.63  1.0
  Ni  Ni2  1  0.84  0.0  0.63  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CuNi2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   128.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuNi2P
_chemical_formula_sum   'Cu2 Ni4 P2'
_cell_volume   88.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  Ni  Ni1  4  0.08  0.08  0.79  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Cu Ni Ni P