data_[Li4Cr4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1639]
_cell_length_b [12.6201]
_cell_length_c [11.5120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Cr2I7]
_chemical_formula_sum '[Li4 Cr4 I14]'
_cell_volume [1009.1791]
_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
[
  Li  Li0  4  0.2019  0.0000  0.7185  1
  Cr  Cr1  4  0.0000  0.3352  0.0000  1
  I  I2  8  0.1354  0.1802  0.8574  1
  I  I3  4  0.0868  0.5000  0.8540  1
  I  I4  2  0.0000  0.0000  0.5000  1
]