data_Be2ZnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   132.47
_cell_angle_beta   132.47
_cell_angle_gamma   69.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnSi
_chemical_formula_sum   'Be2 Zn1 Si1'
_cell_volume   46.65
_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
  Be  Be1  1  0.79  0.0  0.82  1.0
  Zn  Zn3  1  0.0  0.79  0.82  1.0
  Si  Si2  1  0.0  0.0  0.65  1.0

data_Be2ZnSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   4.44
_cell_angle_alpha   113.77
_cell_angle_beta   113.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnSi
_chemical_formula_sum   'Be2 Zn1 Si1'
_cell_volume   46.65
_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
  Be  Be1  1  0.82  0.03  0.03  1.0
  Zn  Zn2  1  0.03  0.82  0.03  1.0
  Si  Si3  1  0.65  0.65  0.65  1.0

Be Be Zn Si