data_BaZn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   128.45
_cell_angle_beta   111.31
_cell_angle_gamma   90.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Cu
_chemical_formula_sum   'Ba1 Zn2 Cu1'
_cell_volume   101.27
_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
  Ba  Ba0  1  0.3  0.0  0.67  1.0
  Zn  Zn2  1  0.3  0.0  0.16  1.0
  Zn  Zn3  1  0.0  0.0  0.08  1.0
  Cu  Cu1  1  0.0  0.0  0.21  1.0

data_BaZn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   68.69
_cell_angle_beta   64.22
_cell_angle_gamma   64.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Cu
_chemical_formula_sum   'Ba1 Zn2 Cu1'
_cell_volume   101.27
_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
  Ba  Ba0  1  0.37  0.3  0.33  1.0
  Zn  Zn1  1  0.08  0.0  0.92  1.0
  Zn  Zn2  1  0.86  0.3  0.84  1.0
  Cu  Cu3  1  0.21  0.0  0.79  1.0

Ba Zn Zn Cu