data_CrP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   106.85
_cell_angle_beta   106.85
_cell_angle_gamma   114.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrP4
_chemical_formula_sum   'Cr1 P4'
_cell_volume   72.65
_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  0.0  0.0  1.0
  P  P1  1  0.89  0.11  0.46  1.0
  P  P2  1  0.61  0.61  0.0  1.0
  P  P3  1  0.11  0.89  0.46  1.0
  P  P4  1  0.11  0.11  0.46  1.0

data_CrP4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   7.69
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   122.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrP4
_chemical_formula_sum   'Cr2 P8'
_cell_volume   145.3
_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  2  0.0  0.0  0.0  1.0
  P  P1  4  0.04  0.39  0.54  1.0
  P  P2  2  0.11  0.5  -0.0  1.0
  P  P3  2  0.16  0.5  0.54  1.0

Cr P P P P
Cr P P P P 0 2 - - o 0 1 - o o 0 3 o - o 0 4 o o o 1 4 + o o 1 2 o - o 2 4 o o - 2 4 + + o 2 3 + o o 3 4 o + o 