data_K2YZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   155.03
_cell_angle_beta   126.21
_cell_angle_gamma   60.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YZr
_chemical_formula_sum   'K2 Y1 Zr1'
_cell_volume   163.51
_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  0.37  1.0
  K  K1  1  0.7  0.0  0.47  1.0
  Y  Y2  1  0.0  0.0  0.3  1.0
  Zr  Zr3  1  0.0  0.55  0.02  1.0

data_K2YZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   7.1
_cell_length_c   7.85
_cell_angle_alpha   116.9
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YZr
_chemical_formula_sum   'K2 Y1 Zr1'
_cell_volume   163.51
_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  0.37  0.37  1.0
  K  K1  1  0.0  0.47  0.77  1.0
  Y  Y2  1  0.0  0.3  0.3  1.0
  Zr  Zr3  1  0.45  0.47  0.47  1.0

K K Y Zr