data_[Mo2As2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.8569]
_cell_length_b [20.6576]
_cell_length_c [5.9690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [MoAsCl2]
_chemical_formula_sum '[Mo2 As2 Cl4]'
_cell_volume [544.5518]
_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  0.2075  0.0298  0.7730  1
  As  As1  2  0.6367  0.0102  0.6393  1
  Cl  Cl2  2  0.1253  0.0830  0.1116  1
  Cl  Cl3  2  0.2080  0.1369  0.6536  1
]