data_BaZn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   4.03
_cell_angle_alpha   106.13
_cell_angle_beta   106.13
_cell_angle_gamma   123.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Cu
_chemical_formula_sum   'Ba1 Zn2 Cu1'
_cell_volume   106.87
_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  0.97  0.0  0.0  1.0
  Zn  Zn2  1  0.31  0.75  0.64  1.0
  Zn  Zn3  1  0.31  0.25  0.64  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0

data_BaZn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.86
_cell_length_c   6.24
_cell_angle_alpha   110.58
_cell_angle_beta   106.13
_cell_angle_gamma   96.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Cu
_chemical_formula_sum   'Ba1 Zn2 Cu1'
_cell_volume   106.87
_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  0.0  0.0  0.97  1.0
  Zn  Zn1  1  0.38  0.75  0.05  1.0
  Zn  Zn2  1  0.89  0.25  0.56  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Ba Zn Zn Cu