data_[Sr12Si8As16]
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 [C2/c]
_cell_length_a [9.2966]
_cell_length_b [17.0022]
_cell_length_c [7.4564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3(SiAs2)2]
_chemical_formula_sum '[Sr12 Si8 As16]'
_cell_volume [993.9781]
_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  4  0.0000  0.0589  0.2500  1.0
  Sr  Sr1  4  0.0000  0.1860  0.7500  1.0
  Sr  Sr2  4  0.0000  0.4354  0.7500  1.0
  Si  Si3  8  0.1511  0.6794  0.8442  1.0
  As  As4  8  0.2448  0.4334  0.2520  1.0
  As  As5  8  0.2474  0.8031  0.7821  1.0
]