data_[U2Mo2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9097]
_cell_length_b [5.9100]
_cell_length_c [6.9624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [UMoS4]
_chemical_formula_sum '[U2 Mo2 S8]'
_cell_volume [256.2150]
_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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Mo  Mo1  2  0.5000  0.0000  0.0000  1
  S  S2  4  0.1963  0.2453  0.8374  1
  S  S3  4  0.3492  0.7341  0.6911  1
]