data_Ba2BeZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   4.02
_cell_angle_alpha   90.68
_cell_angle_beta   90.68
_cell_angle_gamma   90.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeZn
_chemical_formula_sum   'Ba2 Be1 Zn1'
_cell_volume   131.39
_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  0.98  0.03  0.01  1.0
  Ba  Ba1  1  0.98  0.97  0.01  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.02  0.0  0.0  1.0

data_Ba2BeZn
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.02
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   Ba2BeZn
_chemical_formula_sum   'Ba2 Be1 Zn1'
_cell_volume   131.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  2  0.0  0.03  0.02  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.98  1.0

Ba Ba Be Zn