data_BaTiZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   148.7
_cell_angle_beta   126.67
_cell_angle_gamma   63.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiZn2
_chemical_formula_sum   'Ba1 Ti1 Zn2'
_cell_volume   93.95
_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  0.65  0.0  0.07  1.0
  Ti  Ti1  1  0.0  0.0  0.23  1.0
  Zn  Zn2  1  0.65  0.0  0.11  1.0
  Zn  Zn3  1  0.0  0.0  0.19  1.0

data_BaTiZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.48
_cell_length_c   6.11
_cell_angle_alpha   116.67
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiZn2
_chemical_formula_sum   'Ba1 Ti1 Zn2'
_cell_volume   93.95
_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  0.58  0.93  0.58  1.0
  Ti  Ti1  1  0.77  0.77  0.77  1.0
  Zn  Zn2  1  0.53  0.89  0.53  1.0
  Zn  Zn3  1  0.81  0.81  0.81  1.0

Ba Ti Zn Zn