data_[Zn4In2Si2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.7715]
_cell_length_b [5.7715]
_cell_length_c [11.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Zn2InSiAs4]
_chemical_formula_sum '[Zn4 In2 Si2 As8]'
_cell_volume [384.7432]
_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
[
  Zn  Zn0  4  0.0000  0.5000  0.2500  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  As  As3  8  0.2296  0.7704  0.3715  1.0
]