data_[Fe2Cu2Mo2H2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9916]
_cell_length_b [3.8066]
_cell_length_c [2.8007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeCuMoHSe]
_chemical_formula_sum '[Fe2 Cu2 Mo2 H2 Se2]'
_cell_volume [125.9296]
_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  0.3369  0.5000  0.1356  1
  Cu  Cu1  2  0.0481  0.0000  0.3512  1
  Mo  Mo2  2  0.4335  0.0000  0.7618  1
  H  H3  2  0.3210  0.0000  0.1630  1
  Se  Se4  2  0.1706  0.5000  0.5198  1
]