data_KAlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSiO4
_chemical_formula_sum   'K2 Al2 Si2 O8'
_cell_volume   199.1
_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  K2  1  0.0  0.0  0.12  1.0
  K  K3  1  0.0  0.0  0.5  1.0
  Al  Al0  1  0.0  0.96  0.42  1.0
  Al  Al1  1  0.56  0.48  0.8  1.0
  Si  Si12  1  0.0  0.96  0.78  1.0
  Si  Si13  1  0.56  0.48  0.15  1.0
  O  O4  1  0.0  0.96  0.16  1.0
  O  O5  1  0.1  0.7  0.29  1.0
  O  O6  1  0.54  0.81  0.29  1.0
  O  O7  1  0.36  0.37  0.29  1.0
  O  O8  1  0.56  0.48  0.53  1.0
  O  O9  1  0.2  0.07  0.66  1.0
  O  O10  1  0.02  0.63  0.66  1.0
  O  O11  1  0.47  0.74  0.66  1.0

data_KAlSiO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSiO4
_chemical_formula_sum   'K2 Al2 Si2 O8'
_cell_volume   199.1
_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  0.0  0.0  0.12  1.0
  K  K1  1  0.0  0.0  0.5  1.0
  Al  Al2  1  0.0  0.96  0.42  1.0
  Al  Al3  1  0.56  0.48  0.8  1.0
  Si  Si4  1  0.0  0.96  0.78  1.0
  Si  Si5  1  0.56  0.48  0.15  1.0
  O  O6  1  0.0  0.96  0.16  1.0
  O  O7  1  0.02  0.63  0.66  1.0
  O  O8  1  0.1  0.7  0.29  1.0
  O  O9  1  0.2  0.07  0.66  1.0
  O  O10  1  0.36  0.37  0.29  1.0
  O  O11  1  0.47  0.74  0.66  1.0
  O  O12  1  0.54  0.81  0.29  1.0
  O  O13  1  0.56  0.48  0.53  1.0

K K Al Al Si Si O O O O O O O O