data_[K4Sr2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7361]
_cell_length_b [8.2899]
_cell_length_c [8.3945]
_cell_angle_alpha [66.4423]
_cell_angle_beta [75.7013]
_cell_angle_gamma [78.5031]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2SrAsS4]
_chemical_formula_sum '[K4 Sr2 As2 S8]'
_cell_volume [475.1158]
_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
[
  K  K0  1  0.4715  0.0734  0.1326  1.0
  K  K1  1  0.4772  0.0185  0.6203  1.0
  K  K2  1  0.5196  0.5562  0.2250  1.0
  K  K3  1  0.9868  0.0043  0.5958  1.0
  Sr  Sr4  1  0.0329  0.4854  0.5682  1.0
  Sr  Sr5  1  0.0449  0.4641  0.0516  1.0
  As  As6  1  0.5487  0.4576  0.7995  1.0
  As  As7  1  0.9872  0.9915  0.1178  1.0
  S  S8  1  0.1595  0.1728  0.8888  1.0
  S  S9  1  0.1643  0.8236  0.3031  1.0
  S  S10  1  0.2328  0.3050  0.3407  1.0
  S  S11  1  0.3022  0.6417  0.7030  1.0
  S  S12  1  0.6930  0.3656  0.5764  1.0
  S  S13  1  0.7354  0.6421  0.8008  1.0
  S  S14  1  0.7943  0.1598  0.2421  1.0
  S  S15  1  0.8496  0.8384  0.0343  1.0
]