data_[Sr12Si4As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4116]
_cell_length_b [10.6209]
_cell_length_c [9.8202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3SiAs4]
_chemical_formula_sum '[Sr12 Si4 As16]'
_cell_volume [877.3316]
_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
[
  Sr  Sr0  8  0.0359  0.0509  0.3115  1
  Sr  Sr1  4  0.1598  0.7500  0.0870  1
  Si  Si2  4  0.2323  0.2500  0.0496  1
  As  As3  8  0.1373  0.0469  0.9632  1
  As  As4  4  0.0416  0.7500  0.4047  1
  As  As5  4  0.2053  0.7500  0.7792  1
]