data_K4SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   6.52
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   112.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4SiO4
_chemical_formula_sum   'K16 Si4 O16'
_cell_volume   662.1
_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
  K  K0  1  0.32  0.2  0.63  1.0
  K  K1  1  0.21  0.31  0.06  1.0
  K  K2  1  0.3  0.06  0.78  1.0
  K  K3  1  0.64  0.65  0.96  1.0
  K  K4  1  0.86  0.91  0.89  1.0
  K  K5  1  0.89  0.87  0.73  1.0
  K  K6  1  0.67  0.61  0.81  1.0
  K  K7  1  0.31  0.54  0.84  1.0
  K  K8  1  0.19  0.8  0.01  1.0
  K  K9  1  0.22  0.98  0.86  1.0
  K  K10  1  0.33  0.72  0.69  1.0
  K  K11  1  0.23  0.06  0.82  1.0
  K  K12  1  0.32  0.32  0.73  1.0
  K  K13  1  0.3  0.46  0.88  1.0
  K  K14  1  0.2  0.2  0.97  1.0
  K  K15  1  0.23  0.46  0.91  1.0
  Si  Si16  1  0.6  0.11  0.76  1.0
  Si  Si17  1  0.9  0.86  0.09  1.0
  Si  Si18  1  0.63  0.66  0.61  1.0
  Si  Si19  1  0.92  0.4  0.94  1.0
  O  O20  1  0.13  0.96  0.4  1.0
  O  O21  1  0.54  0.5  0.47  1.0
  O  O22  1  0.96  0.25  0.38  1.0
  O  O23  1  0.99  0.01  0.23  1.0
  O  O24  1  0.42  0.7  0.15  1.0
  O  O25  1  0.4  0.56  0.3  1.0
  O  O26  1  0.1  0.82  0.55  1.0
  O  O27  1  0.71  0.45  0.15  1.0
  O  O28  1  0.79  0.19  0.7  1.0
  O  O29  1  0.82  0.07  0.55  1.0
  O  O30  1  0.73  0.33  0.0  1.0
  O  O31  1  0.93  0.37  0.43  1.0
  O  O32  1  0.62  0.11  0.11  1.0
  O  O33  1  0.59  0.14  0.26  1.0
  O  O34  1  0.91  0.4  0.59  1.0
  O  O35  1  0.57  0.27  0.31  1.0

data_K4SiO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.52
_cell_length_b   10.47
_cell_length_c   10.48
_cell_angle_alpha   112.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K4SiO4
_chemical_formula_sum   'K16 Si4 O16'
_cell_volume   662.1
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.72  0.94  1.0
  K  K1  2  0.06  0.38  0.06  1.0
  K  K2  2  0.2  0.53  0.04  1.0
  K  K3  2  0.2  0.56  0.97  1.0
  K  K4  2  0.28  0.49  0.04  1.0
  K  K5  2  0.35  0.46  0.4  1.0
  K  K6  2  0.39  0.61  0.38  1.0
  K  K7  2  0.46  0.34  0.07  1.0
  Si  Si8  2  0.14  0.59  0.66  1.0
  Si  Si9  2  0.4  0.26  0.36  1.0
  O  O10  2  0.01  0.97  0.3  1.0
  O  O11  2  0.07  0.65  0.47  1.0
  O  O12  2  0.11  0.09  0.67  1.0
  O  O13  2  0.14  0.24  0.65  1.0
  O  O14  2  0.19  0.8  0.45  1.0
  O  O15  2  0.25  0.12  0.28  1.0
  O  O16  2  0.3  0.95  0.13  1.0
  O  O17  2  0.44  0.8  0.16  1.0

K K K K K K K K K K K K K K K K Si Si Si Si O O O O O O O O O O O O O O O O
K K K K K K K K K K K K K K K K Si Si Si Si O O O O O O O O O O O O O O O O 0 12 o o o 0 16 o o o 1 14 o o - 1 19 - o - 2 11 o o o 2 10 o - o 3 6 o o o 3 27 o o + 3 30 o o + 4 5 o o o 4 17 o o + 4 16 o + o 5 28 o + o 5 29 o + o 6 18 o o o 6 19 o o o 7 13 o o o 7 10 o o o 8 15 o o - 8 24 o o o 8 14 o + - 8 9 o o - 9 11 o + o 10 12 o o o 10 26 o o o 12 16 o o o 13 15 o o o 14 19 - o o 16 28 o o o 16 30 o o + 17 23 o + o 18 21 o o o 19 28 o o o 19 30 o o + 20 26 o o o 20 23 - + o 21 25 o o o 22 31 o o o 24 25 o o o 27 30 o o o 28 29 o o o 31 34 o o o 32 33 o o o 33 35 o o o 