data_K2ZrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   5.63
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrP
_chemical_formula_sum   'K2 Zr1 P1'
_cell_volume   113.12
_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  0.76  0.36  0.86  1.0
  K  K1  1  0.76  0.27  0.86  1.0
  Zr  Zr3  1  0.0  0.81  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_K2ZrP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.63
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrP
_chemical_formula_sum   'K2 Zr1 P1'
_cell_volume   113.12
_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  0.76  0.27  0.86  1.0
  K  K1  1  0.76  0.36  0.86  1.0
  Zr  Zr2  1  0.0  0.81  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

K K Zr P
K K Zr P 0 1 o o o 2 3 o + o 