data_CrRe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   146.21
_cell_angle_beta   128.6
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2P
_chemical_formula_sum   'Cr1 Re2 P1'
_cell_volume   54.06
_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  0.27  1.0
  Re  Re2  1  0.0  0.17  0.39  1.0
  Re  Re3  1  0.46  0.0  0.89  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_CrRe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.35
_cell_length_c   5.01
_cell_angle_alpha   115.7
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2P
_chemical_formula_sum   'Cr1 Re2 P1'
_cell_volume   54.06
_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  0.27  0.27  1.0
  Re  Re1  1  0.0  0.89  0.43  1.0
  Re  Re2  1  0.83  0.21  0.21  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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