data_CoReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   3.79
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReP
_chemical_formula_sum   'Co4 Re4 P4'
_cell_volume   143.26
_cell_formula_units_Z   4
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
  Co  Co0  1  0.84  0.95  0.84  1.0
  Co  Co1  1  0.6  0.85  0.49  1.0
  Co  Co2  1  0.79  0.85  0.87  1.0
  Co  Co3  1  0.02  0.95  0.22  1.0
  Re  Re8  1  0.48  0.95  0.13  1.0
  Re  Re9  1  0.96  0.85  0.49  1.0
  Re  Re10  1  0.15  0.85  0.58  1.0
  Re  Re11  1  0.66  0.95  0.22  1.0
  P  P4  1  0.35  0.95  0.16  1.0
  P  P5  1  0.46  0.85  0.8  1.0
  P  P6  1  0.28  0.85  0.55  1.0
  P  P7  1  0.17  0.95  0.91  1.0

data_CoReP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.79
_cell_length_b   5.63
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoReP
_chemical_formula_sum   'Co4 Re4 P4'
_cell_volume   143.26
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Co  Co0  2  0.05  0.02  0.99  1.0
  Co  Co1  2  0.05  0.21  0.37  1.0
  Re  Re2  2  0.05  0.66  0.28  1.0
  Re  Re3  2  0.05  0.85  0.37  1.0
  P  P4  2  0.05  0.54  0.3  1.0
  P  P5  2  0.05  0.35  0.05  1.0

Co Co Co Co Re Re Re Re P P P P
Co Co Co Co Re Re Re Re P P P P 0 2 o o o 0 9 o o o 0 11 + o o 1 10 o o o 1 9 o o o 1 7 o o o 1 5 o o o 2 9 o o o 2 11 + o o 3 5 - o o 3 7 - o o 3 8 o o o 3 11 o o - 4 8 o o o 4 7 o o o 4 9 o o - 4 11 o o - 5 6 + o o 6 10 o o o 6 9 o o o 6 11 o o o 8 11 o o - 9 10 o o o 9 11 o o o 