data_KSr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   11.36
_cell_angle_alpha   100.4
_cell_angle_beta   100.4
_cell_angle_gamma   59.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2B
_chemical_formula_sum   'K1 Sr2 B1'
_cell_volume   177.42
_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  K1  1  0.54  0.0  0.56  1.0
  Sr  Sr2  1  0.96  0.0  0.55  1.0
  Sr  Sr3  1  0.12  0.0  0.56  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_KSr2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.3
_cell_length_c   11.36
_cell_angle_alpha   100.4
_cell_angle_beta   90.0
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2B
_chemical_formula_sum   'K1 Sr2 B1'
_cell_volume   177.42
_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  0.46  0.44  1.0
  Sr  Sr1  1  0.0  0.04  0.45  1.0
  Sr  Sr2  1  0.0  0.88  0.44  1.0
  B  B3  1  0.0  0.0  0.0  1.0

K Sr Sr B
K Sr Sr B 0 2 o o o 0 1 o o o 0 3 + o + 1 2 + o o 1 3 + o + 2 3 o o + 3 3 o + o 3 3 + - o 3 3 + o o 