data_K3Sr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.83
_cell_length_b   11.83
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Sr5
_chemical_formula_sum   'K6 Sr10'
_cell_volume   973.48
_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  0.61  0.14  0.02  1.0
  K  K1  1  0.48  0.1  0.01  1.0
  K  K2  1  0.52  0.1  0.02  1.0
  K  K3  1  0.78  0.0  0.02  1.0
  K  K4  1  0.05  0.0  0.01  1.0
  K  K5  1  0.39  0.14  0.01  1.0
  Sr  Sr6  1  0.92  0.42  0.02  1.0
  Sr  Sr7  1  0.0  0.83  0.0  1.0
  Sr  Sr8  1  0.0  0.83  0.02  1.0
  Sr  Sr9  1  0.92  0.42  0.0  1.0
  Sr  Sr10  1  0.41  0.96  0.02  1.0
  Sr  Sr11  1  0.68  0.29  0.01  1.0
  Sr  Sr12  1  0.32  0.29  0.02  1.0
  Sr  Sr13  1  0.19  0.0  0.02  1.0
  Sr  Sr14  1  0.64  0.0  0.01  1.0
  Sr  Sr15  1  0.59  0.96  0.01  1.0

data_K3Sr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.03
_cell_length_b   11.83
_cell_length_c   11.83
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Sr5
_chemical_formula_sum   'K6 Sr10'
_cell_volume   973.48
_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  0.01  0.05  0.0  1.0
  K  K1  1  0.01  0.39  0.14  1.0
  K  K2  1  0.01  0.48  0.1  1.0
  K  K3  1  0.02  0.52  0.1  1.0
  K  K4  1  0.02  0.61  0.14  1.0
  K  K5  1  0.02  0.78  0.0  1.0
  Sr  Sr6  1  -0.0  0.92  0.42  1.0
  Sr  Sr7  1  0.0  0.0  0.83  1.0
  Sr  Sr8  1  0.01  0.59  0.96  1.0
  Sr  Sr9  1  0.01  0.64  0.0  1.0
  Sr  Sr10  1  0.01  0.68  0.29  1.0
  Sr  Sr11  1  0.02  0.0  0.83  1.0
  Sr  Sr12  1  0.02  0.92  0.42  1.0
  Sr  Sr13  1  0.02  0.19  0.0  1.0
  Sr  Sr14  1  0.02  0.32  0.29  1.0
  Sr  Sr15  1  0.02  0.41  0.96  1.0

K K K K K K Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr