data_K2Zr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Zr(PO4)2
_chemical_formula_sum   'K2 Zr1 P2 O8'
_cell_volume   204.95
_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  0.57  0.48  0.14  1.0
  K  K1  1  0.0  0.96  0.85  1.0
  Zr  Zr12  1  0.0  0.0  0.0  1.0
  P  P10  1  0.0  0.96  0.78  1.0
  P  P11  1  0.57  0.48  0.2  1.0
  O  O2  1  0.52  0.6  0.24  1.0
  O  O3  1  0.56  0.19  0.24  1.0
  O  O4  1  0.92  0.1  0.24  1.0
  O  O5  1  0.0  0.96  0.3  1.0
  O  O6  1  0.57  0.48  0.69  1.0
  O  O7  1  0.65  0.35  0.75  1.0
  O  O8  1  0.01  0.26  0.75  1.0
  O  O9  1  0.04  0.84  0.75  1.0

data_K2Zr(PO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Zr(PO4)2
_chemical_formula_sum   'K2 Zr1 P2 O8'
_cell_volume   204.95
_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  0.96  0.85  1.0
  K  K1  1  0.57  0.48  0.14  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.96  0.78  1.0
  P  P4  1  0.57  0.48  0.2  1.0
  O  O5  1  0.0  0.96  0.3  1.0
  O  O6  1  0.01  0.26  0.75  1.0
  O  O7  1  0.04  0.84  0.75  1.0
  O  O8  1  0.52  0.6  0.24  1.0
  O  O9  1  0.56  0.19  0.24  1.0
  O  O10  1  0.57  0.48  0.69  1.0
  O  O11  1  0.65  0.35  0.75  1.0
  O  O12  1  0.92  0.1  0.24  1.0

K K Zr P P O O O O O O O O
K K Zr P P O O O O O O O O 0 4 o o o 0 6 o o o 1 3 o o o 1 2 o + + 1 11 o + o 3 11 o + o 3 12 o o o 4 5 o o o 4 6 o o o 7 8 + - o 9 10 o o o 