data_[Mo2As2Cl2]
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 [P1]
_cell_length_a [3.0239]
_cell_length_b [7.9346]
_cell_length_c [19.0427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [98.6337]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MoAsCl]
_chemical_formula_sum '[Mo2 As2 Cl2]'
_cell_volume [451.7187]
_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  1  0.1011  0.6749  0.5562  1
  Mo  Mo1  1  0.8941  0.6574  0.4422  1
  As  As2  1  0.3526  0.3712  0.4417  1
  As  As3  1  0.4187  0.3916  0.5727  1
  Cl  Cl4  1  0.4735  0.8577  0.3875  1
  Cl  Cl5  1  0.6858  0.8907  0.5998  1
]