data_[Mo2S4N4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6237]
_cell_length_b [7.6807]
_cell_length_c [10.3239]
_cell_angle_alpha [76.1898]
_cell_angle_beta [78.3970]
_cell_angle_gamma [83.7033]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MoS2N2Cl5]
_chemical_formula_sum '[Mo2 S4 N4 Cl10]'
_cell_volume [573.8420]
_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
[
  Mo  Mo0  2  0.1694  0.1663  0.2344  1
  S  S1  2  0.0466  0.4082  0.9171  1
  S  S2  2  0.3529  0.8259  0.4452  1
  N  N3  2  0.0535  0.3899  0.0787  1
  N  N4  2  0.2644  0.9867  0.3503  1
  Cl  Cl5  2  0.0537  0.3753  0.3647  1
  Cl  Cl6  2  0.1190  0.9526  0.7110  1
  Cl  Cl7  2  0.2301  0.0473  0.0411  1
  Cl  Cl8  2  0.4382  0.3150  0.1610  1
  Cl  Cl9  2  0.4549  0.6475  0.3233  1
]