data_KZrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   5.03
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   92.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrCu2
_chemical_formula_sum   'K1 Zr1 Cu2'
_cell_volume   82.94
_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  K2  1  0.07  0.0  0.45  1.0
  Zr  Zr3  1  0.83  0.51  0.94  1.0
  Cu  Cu0  1  0.29  0.0  0.31  1.0
  Cu  Cu1  1  0.49  0.51  0.58  1.0

data_KZrCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.03
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   92.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrCu2
_chemical_formula_sum   'K1 Zr1 Cu2'
_cell_volume   82.94
_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  0.07  0.0  0.45  1.0
  Zr  Zr1  1  0.83  0.51  0.94  1.0
  Cu  Cu2  1  0.29  0.0  0.31  1.0
  Cu  Cu3  1  0.49  0.51  0.58  1.0

K Zr Cu Cu