data_[Co2Re2Mo4]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0444]
_cell_length_b [2.7204]
_cell_length_c [4.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoReMo2]
_chemical_formula_sum '[Co2 Re2 Mo4]'
_cell_volume [115.3952]
_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  0.2463  0.0000  0.7487  1
  Re  Re1  2  0.0150  0.5000  0.5118  1
  Mo  Mo2  2  0.2521  0.5000  0.2568  1
  Mo  Mo3  2  0.4866  0.5000  0.9827  1
]