data_[Co2Re4Mo4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.8098]
_cell_length_b [6.8689]
_cell_length_c [9.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CoRe2(MoS4)2]
_chemical_formula_sum '[Co2 Re4 Mo4 S16]'
_cell_volume [452.7774]
_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  0.9993  1.0
  Re  Re1  4  0.2079  0.0000  0.6045  1.0
  Mo  Mo2  4  0.0000  0.2060  0.3976  1.0
  S  S3  4  0.0000  0.2677  0.6365  1.0
  S  S4  4  0.0000  0.2728  0.1323  1.0
  S  S5  4  0.2285  0.5000  0.8666  1.0
  S  S6  4  0.2339  0.5000  0.3628  1.0
]