data_[V3Rh1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6887]
_cell_length_b [5.7110]
_cell_length_c [6.5778]
_cell_angle_alpha [90.5271]
_cell_angle_beta [114.5264]
_cell_angle_gamma [119.6144]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V3RhS6]
_chemical_formula_sum '[V3 Rh1 S6]'
_cell_volume [162.6975]
_cell_formula_units_Z [1]
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  2  0.3712  0.6932  0.0086  1
  V  V1  1  0.0000  0.0000  0.0000  1
  Rh  Rh2  1  0.0000  0.5000  0.5000  1
  S  S3  2  0.1521  0.4138  0.2337  1
  S  S4  2  0.1635  0.2450  0.7470  1
  S  S5  2  0.4928  0.0782  0.2567  1
]