data_[Mo4As2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4126]
_cell_length_b [3.2103]
_cell_length_c [8.7240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mo2AsS2]
_chemical_formula_sum '[Mo4 As2 S4]'
_cell_volume [174.5387]
_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  0.1109  0.7500  0.1266  1.0
  Mo  Mo1  2  0.3220  0.7500  0.5127  1.0
  As  As2  2  0.0110  0.2500  0.3482  1.0
  S  S3  2  0.2620  0.2500  0.9812  1.0
  S  S4  2  0.4984  0.7500  0.3011  1.0
]