data_KZnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.77
_cell_angle_alpha   110.49
_cell_angle_beta   110.49
_cell_angle_gamma   38.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnP2
_chemical_formula_sum   'K1 Zn1 P2'
_cell_volume   98.55
_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  0.69  0.0  0.8  1.0
  Zn  Zn3  1  0.31  0.0  0.35  1.0
  P  P1  1  0.6  0.0  0.44  1.0
  P  P2  1  0.8  0.0  0.84  1.0

data_KZnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.01
_cell_length_c   6.77
_cell_angle_alpha   110.49
_cell_angle_beta   90.0
_cell_angle_gamma   109.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnP2
_chemical_formula_sum   'K1 Zn1 P2'
_cell_volume   98.55
_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  0.31  0.2  1.0
  Zn  Zn1  1  0.0  0.69  0.65  1.0
  P  P2  1  0.0  0.2  0.16  1.0
  P  P3  1  0.0  0.4  0.56  1.0

K Zn P P
K Zn P P 0 3 o o o 1 2 o o o 