data_[Cr4In8Ga4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9364]
_cell_length_b [11.7291]
_cell_length_c [6.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrIn2GaSe6]
_chemical_formula_sum '[Cr4 In8 Ga4 Se24]'
_cell_volume [1012.9799]
_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
[
  Cr  Cr0  4  0.0000  0.0838  0.7500  1
  In  In1  8  0.1806  0.4034  0.7897  1
  Ga  Ga2  4  0.0000  0.2511  0.2500  1
  Se  Se3  8  0.1036  0.0800  0.1109  1
  Se  Se4  8  0.1178  0.2192  0.5898  1
  Se  Se5  8  0.1403  0.3914  0.1519  1
]