data_[Fe2Re2Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1146]
_cell_length_b [2.7345]
_cell_length_c [4.7503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeReMo2]
_chemical_formula_sum '[Fe2 Re2 Mo4]'
_cell_volume [116.4324]
_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
[
  Fe  Fe0  2  0.2540  0.5000  0.2506  1
  Re  Re1  2  0.4838  0.0000  0.4892  1
  Mo  Mo2  2  0.0150  0.0000  0.0170  1
  Mo  Mo3  2  0.2472  0.0000  0.7431  1
]