data_[In1Si2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7738]
_cell_length_b [4.0330]
_cell_length_c [6.2649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [InSi2W]
_chemical_formula_sum '[In1 Si2 W1]'
_cell_volume [70.0841]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.7512  1
  Si  Si1  1  0.0000  0.0000  0.0294  1
  Si  Si2  1  0.5000  0.5000  0.2871  1
  W  W3  1  0.0000  0.0000  0.4323  1
]