data_[Y4V4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  V  1.6300  1.3500  0.7775
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.0320]
_cell_length_b [3.9917]
_cell_length_c [13.1122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YVI]
_chemical_formula_sum '[Y4 V4 I4]'
_cell_volume [362.3741]
_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
[
  Y  Y0  2  0.1856  0.0000  0.6091  1
  Y  Y1  2  0.2994  0.0000  0.9577  1
  V  V2  2  0.0984  0.5000  0.7834  1
  V  V3  2  0.3813  0.5000  0.7834  1
  I  I4  2  0.0246  0.0000  0.1228  1
  I  I5  2  0.3031  0.5000  0.4440  1
]