data_[In4Cu4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.3425]
_cell_length_b [3.8901]
_cell_length_c [5.0030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [InCuSi]
_chemical_formula_sum '[In4 Cu4 Si4]'
_cell_volume [225.1405]
_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  0.0305  0.2698  0.6956  1
  Si  Si1  4  0.2532  0.0010  0.9561  1
  Cu  Cu2  4  0.3237  0.4985  0.7672  1
]