data_KZrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrP2
_chemical_formula_sum   'K1 Zr1 P2'
_cell_volume   107.51
_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  0.54  1.0
  Zr  Zr3  1  0.59  0.0  0.71  1.0
  P  P1  1  0.59  0.0  0.32  1.0
  P  P2  1  0.0  0.0  0.44  1.0

data_KZrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrP2
_chemical_formula_sum   'K1 Zr1 P2'
_cell_volume   107.51
_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  0.54  1.0
  Zr  Zr1  1  0.59  0.0  0.71  1.0
  P  P2  1  0.0  0.0  0.44  1.0
  P  P3  1  0.59  0.0  0.32  1.0

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