data_KZrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrP2
_chemical_formula_sum   'K1 Zr1 P2'
_cell_volume   83.3
_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  0.87  0.0  0.63  1.0
  Zr  Zr3  1  0.7  0.61  0.26  1.0
  P  P1  1  0.5  0.61  0.69  1.0
  P  P2  1  0.46  0.0  0.26  1.0

data_KZrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrP2
_chemical_formula_sum   'K1 Zr1 P2'
_cell_volume   83.3
_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  0.87  0.0  0.63  1.0
  Zr  Zr1  1  0.7  0.61  0.26  1.0
  P  P2  1  0.46  0.0  0.26  1.0
  P  P3  1  0.5  0.61  0.69  1.0

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