data_[Co2Re6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3520]
_cell_length_b [5.4566]
_cell_length_c [4.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CoRe3]
_chemical_formula_sum '[Co2 Re6]'
_cell_volume [111.4228]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.6705  1.0
  Re  Re1  4  0.0000  0.2477  0.1704  1.0
  Re  Re2  2  0.0000  0.5000  0.6670  1.0
]