data_Fe2CoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.43
_cell_angle_alpha   99.55
_cell_angle_beta   99.55
_cell_angle_gamma   33.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoRe
_chemical_formula_sum   'Fe2 Co1 Re1'
_cell_volume   47.48
_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
  Fe  Fe1  1  0.68  0.0  0.34  1.0
  Fe  Fe2  1  0.55  0.0  0.35  1.0
  Co  Co0  1  0.13  0.0  0.07  1.0
  Re  Re3  1  0.84  0.0  0.14  1.0

data_Fe2CoRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.42
_cell_length_c   4.43
_cell_angle_alpha   99.55
_cell_angle_beta   90.0
_cell_angle_gamma   106.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoRe
_chemical_formula_sum   'Fe2 Co1 Re1'
_cell_volume   47.48
_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
  Fe  Fe0  1  0.0  0.32  0.66  1.0
  Fe  Fe1  1  0.0  0.45  0.65  1.0
  Co  Co2  1  0.0  0.87  0.93  1.0
  Re  Re3  1  0.0  0.16  0.86  1.0

Fe Fe Co Re
Fe Fe Co Re 0 1 o o o 0 3 o o o 2 3 - o o 