data_Co2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   4.12
_cell_angle_alpha   123.47
_cell_angle_beta   123.47
_cell_angle_gamma   84.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2ReP
_chemical_formula_sum   'Co2 Re1 P1'
_cell_volume   46.65
_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
  Co  Co0  1  0.0  0.0  0.06  1.0
  Co  Co1  1  0.0  0.95  0.53  1.0
  Re  Re3  1  0.95  0.0  0.53  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Co2ReP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.12
_cell_angle_alpha   118.26
_cell_angle_beta   118.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2ReP
_chemical_formula_sum   'Co2 Re1 P1'
_cell_volume   46.65
_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
  Co  Co0  1  0.06  0.06  0.06  1.0
  Co  Co1  1  0.58  0.53  0.58  1.0
  Re  Re2  1  0.53  0.58  0.58  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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