data_[Cr1Fe2Re1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.5392]
_cell_length_b [4.1275]
_cell_length_c [4.8660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrFe2Re]
_chemical_formula_sum '[Cr1 Fe2 Re1]'
_cell_volume [50.3703]
_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  0.7425  0.5000  0.2424  1.0
  Fe  Fe1  1  0.0074  0.0000  0.9963  1.0
  Fe  Fe2  1  0.2369  0.5000  0.7616  1.0
  Re  Re3  1  0.5132  0.0000  0.4997  1.0
]