data_K5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   10.52
_cell_angle_alpha   110.57
_cell_angle_beta   110.57
_cell_angle_gamma   47.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5As4
_chemical_formula_sum   'K5 As4'
_cell_volume   300.83
_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
  K  K0  1  0.57  0.0  0.71  1.0
  K  K1  1  0.26  0.0  0.95  1.0
  K  K2  1  0.28  0.0  0.48  1.0
  K  K3  1  0.44  0.0  0.21  1.0
  K  K4  1  0.74  0.0  0.75  1.0
  As  As5  1  0.12  0.0  0.66  1.0
  As  As6  1  0.71  0.0  0.04  1.0
  As  As7  1  0.56  0.0  0.69  1.0
  As  As8  1  0.26  0.0  0.02  1.0

data_K5As4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.23
_cell_length_b   6.48
_cell_length_c   10.23
_cell_angle_alpha   74.22
_cell_angle_beta   75.19
_cell_angle_gamma   66.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5As4
_chemical_formula_sum   'K5 As4'
_cell_volume   300.83
_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
  K  K0  1  0.0  0.23  0.21  1.0
  K  K1  1  0.0  0.3  0.95  1.0
  K  K2  1  0.0  0.8  0.48  1.0
  K  K3  1  0.0  0.86  0.71  1.0
  K  K4  1  0.0  1.0  0.75  1.0
  As  As5  1  0.0  0.24  0.02  1.0
  As  As6  1  0.0  0.45  0.66  1.0
  As  As7  1  0.0  0.67  0.04  1.0
  As  As8  1  0.0  0.87  0.69  1.0

K K K K K As As As As