data_BeZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   2.88
_cell_angle_alpha   101.86
_cell_angle_beta   101.86
_cell_angle_gamma   126.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Ge
_chemical_formula_sum   'Be1 Zn2 Ge1'
_cell_volume   59.78
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.21  0.58  0.0  1.0
  Zn  Zn3  1  0.21  0.42  0.0  1.0
  Ge  Ge1  1  0.42  0.0  0.0  1.0

data_BeZn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.35
_cell_length_c   5.4
_cell_angle_alpha   111.22
_cell_angle_beta   101.86
_cell_angle_gamma   98.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Ge
_chemical_formula_sum   'Be1 Zn2 Ge1'
_cell_volume   59.78
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.42  0.42  0.63  1.0
  Zn  Zn2  1  0.58  0.58  0.79  1.0
  Ge  Ge3  1  0.0  0.0  0.42  1.0

Be Zn Zn Ge