data_KSrZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   140.96
_cell_angle_beta   140.96
_cell_angle_gamma   56.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrZr2
_chemical_formula_sum   'K1 Sr1 Zr2'
_cell_volume   126.94
_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  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.0  0.04  1.0
  Zr  Zr2  1  0.0  0.29  0.02  1.0
  Zr  Zr3  1  0.29  0.0  0.02  1.0

data_KSrZr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   118.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSrZr2
_chemical_formula_sum   'K2 Sr2 Zr4'
_cell_volume   253.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sr  Sr1  2  0.0  0.0  0.96  1.0
  Zr  Zr2  4  0.15  0.15  0.27  1.0

K Sr Zr Zr