data_CrReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   5.9
_cell_length_c   2.77
_cell_angle_alpha   82.22
_cell_angle_beta   71.34
_cell_angle_gamma   26.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReP
_chemical_formula_sum   'Cr1 Re1 P1'
_cell_volume   39.78
_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  0.49  0.34  0.27  1.0
  Re  Re2  1  0.49  0.34  0.7  1.0
  P  P1  1  0.49  0.34  0.87  1.0

data_CrReP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.98
_cell_length_b   11.42
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   122.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrReP
_chemical_formula_sum   'Cr2 Re2 P2'
_cell_volume   79.56
_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  0.4  0.5  0.24  1.0
  Re  Re1  2  0.47  0.0  0.81  1.0
  P  P2  2  0.3  0.0  0.64  1.0

Cr Re P
Cr Re P 0 2 o o - 0 1 o o o 1 2 o o o 