data_BeZn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   132.16
_cell_angle_beta   130.79
_cell_angle_gamma   71.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Sn
_chemical_formula_sum   'Be1 Zn2 Sn1'
_cell_volume   67.07
_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  0.95  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.01  0.0  0.17  1.0
  Sn  Sn1  1  0.0  0.07  0.95  1.0

data_BeZn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.13
_cell_length_c   4.96
_cell_angle_alpha   114.61
_cell_angle_beta   113.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Sn
_chemical_formula_sum   'Be1 Zn2 Sn1'
_cell_volume   67.07
_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  0.95  0.95  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.17  0.16  1.0
  Sn  Sn3  1  0.93  0.88  0.88  1.0

Be Zn Zn Sn
Be Zn Zn Sn 0 1 o o + 0 3 o o o 1 2 o o o 