data_CoRe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.6
_cell_angle_alpha   99.94
_cell_angle_beta   99.94
_cell_angle_gamma   34.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRe2Ni
_chemical_formula_sum   'Co1 Re2 Ni1'
_cell_volume   52.46
_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  0.0  1.0
  Re  Re2  1  0.29  0.0  0.12  1.0
  Re  Re3  1  0.56  0.0  0.4  1.0
  Ni  Ni1  1  0.93  0.0  0.26  1.0

data_CoRe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.54
_cell_length_c   4.6
_cell_angle_alpha   99.94
_cell_angle_beta   90.0
_cell_angle_gamma   107.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRe2Ni
_chemical_formula_sum   'Co1 Re2 Ni1'
_cell_volume   52.46
_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  0.0  1.0
  Re  Re1  1  0.0  0.44  0.6  1.0
  Re  Re2  1  0.0  0.71  0.88  1.0
  Ni  Ni3  1  0.0  0.07  0.74  1.0

Co Re Re Ni