data_[Mo2Se4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.9117]
_cell_length_b [18.9677]
_cell_length_c [5.7853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [MoSe2Cl]
_chemical_formula_sum '[Mo2 Se4 Cl2]'
_cell_volume [710.6969]
_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  0.3224  0.4890  0.6444  1
  Se  Se1  2  0.0914  0.4305  0.2891  1
  Se  Se2  2  0.3766  0.3954  0.9415  1
  Cl  Cl3  2  0.6196  0.4535  0.5350  1
]