data_KCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   136.64
_cell_angle_beta   105.17
_cell_angle_gamma   90.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuP2
_chemical_formula_sum   'K1 Cu1 P2'
_cell_volume   98.03
_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  K1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.78  1.0
  P  P2  1  0.99  0.0  0.67  1.0
  P  P3  1  0.0  0.27  0.11  1.0

data_KCuP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   74.83
_cell_angle_beta   68.32
_cell_angle_gamma   68.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuP2
_chemical_formula_sum   'K1 Cu1 P2'
_cell_volume   98.03
_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  0.0  1.0
  Cu  Cu1  1  0.78  0.0  0.22  1.0
  P  P2  1  0.11  0.0  0.16  1.0
  P  P3  1  0.69  0.99  0.33  1.0

K Cu P P