data_[V4Cu4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2985]
_cell_length_b [3.1201]
_cell_length_c [10.1954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCuS]
_chemical_formula_sum '[V4 Cu4 S4]'
_cell_volume [168.1097]
_cell_formula_units_Z [4]
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
[
  V  V0  4  0.2341  0.0000  0.3987  1
  Cu  Cu1  4  0.1810  0.0000  0.0881  1
  S  S2  4  0.0446  0.5000  0.2539  1
]