data_[In4Ag4Te4Mo4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5765]
_cell_length_b [15.3129]
_cell_length_c [10.6436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [InAgTeMoSe2]
_chemical_formula_sum '[In4 Ag4 Te4 Mo4 Se8]'
_cell_volume [582.9198]
_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
[
  In  In0  4  0.0000  0.2648  0.7500  1
  Ag  Ag1  4  0.0000  0.0658  0.2500  1
  Te  Te2  4  0.0000  0.4218  0.2500  1
  Mo  Mo3  4  0.0000  0.5000  0.0000  1
  Se  Se4  8  0.0000  0.1242  0.0217  1
]