data_SrZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   128.78
_cell_angle_beta   112.51
_cell_angle_gamma   89.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnCu2
_chemical_formula_sum   'Sr1 Zn1 Cu2'
_cell_volume   85.6
_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
  Sr  Sr2  1  0.0  0.78  0.02  1.0
  Zn  Zn3  1  0.0  0.0  0.3  1.0
  Cu  Cu0  1  0.0  0.78  0.5  1.0
  Cu  Cu1  1  0.0  0.0  0.85  1.0

data_SrZnCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   67.49
_cell_angle_beta   64.39
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnCu2
_chemical_formula_sum   'Sr1 Zn1 Cu2'
_cell_volume   85.6
_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
  Sr  Sr0  1  0.78  0.0  0.24  1.0
  Zn  Zn1  1  0.0  0.0  0.3  1.0
  Cu  Cu2  1  0.0  0.0  0.85  1.0
  Cu  Cu3  1  0.78  -0.0  0.71  1.0

Sr Zn Cu Cu