data_CrNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   134.43
_cell_angle_beta   126.9
_cell_angle_gamma   72.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2P
_chemical_formula_sum   'Cr1 Ni2 P1'
_cell_volume   45.62
_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
  Cr  Cr0  1  0.0  0.94  0.6  1.0
  Ni  Ni1  1  0.0  0.0  0.03  1.0
  Ni  Ni2  1  0.68  0.0  0.95  1.0
  P  P3  1  0.0  0.0  0.42  1.0

data_CrNi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.88
_cell_length_c   4.34
_cell_angle_alpha   116.55
_cell_angle_beta   112.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2P
_chemical_formula_sum   'Cr1 Ni2 P1'
_cell_volume   45.62
_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
  Cr  Cr0  1  0.06  0.66  0.66  1.0
  Ni  Ni1  1  0.0  0.03  0.03  1.0
  Ni  Ni2  1  0.0  0.95  0.27  1.0
  P  P3  1  0.0  0.42  0.42  1.0

Cr Ni Ni P
Cr Ni Ni P 0 3 o + o 1 2 - o - 