data_Cr2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   133.95
_cell_angle_beta   133.95
_cell_angle_gamma   67.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiP
_chemical_formula_sum   'Cr2 Ni1 P1'
_cell_volume   44.65
_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  0.74  0.85  1.0
  Cr  Cr1  1  0.74  0.0  0.85  1.0
  Ni  Ni2  1  0.0  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Cr2NiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   123.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2NiP
_chemical_formula_sum   'Cr4 Ni2 P2'
_cell_volume   89.3
_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
  Cr  Cr0  4  0.02  0.13  0.89  1.0
  Ni  Ni1  2  0.3  0.0  0.3  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Cr Cr Ni P