data_SrBe2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.91
_cell_angle_alpha   108.14
_cell_angle_beta   108.14
_cell_angle_gamma   59.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Zn
_chemical_formula_sum   'Sr1 Be2 Zn1'
_cell_volume   75.73
_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
  Sr  Sr2  1  0.39  0.0  0.78  1.0
  Be  Be0  1  0.8  0.0  0.45  1.0
  Be  Be1  1  0.19  0.0  0.25  1.0
  Zn  Zn3  1  0.62  0.0  0.32  1.0

data_SrBe2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.99
_cell_length_c   5.91
_cell_angle_alpha   108.14
_cell_angle_beta   90.0
_cell_angle_gamma   119.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Zn
_chemical_formula_sum   'Sr1 Be2 Zn1'
_cell_volume   75.73
_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
  Sr  Sr0  1  0.0  0.61  0.22  1.0
  Be  Be1  1  0.0  0.2  0.55  1.0
  Be  Be2  1  0.0  0.81  0.75  1.0
  Zn  Zn3  1  0.0  0.38  0.68  1.0

Sr Be Be Zn
Sr Be Be Zn 0 2 o o o 0 2 o o + 0 3 - o o 0 3 o o o 0 3 o o + 0 1 - o o 0 1 o o o 1 3 o o o 2 3 o o o 