data_Sr3Be4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Be4
_chemical_formula_sum   'Sr3 Be4'
_cell_volume   207.98
_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  Sr4  1  0.86  0.22  0.17  1.0
  Sr  Sr5  1  0.72  0.0  0.17  1.0
  Sr  Sr6  1  0.14  0.22  0.17  1.0
  Be  Be0  1  0.0  0.0  0.26  1.0
  Be  Be1  1  0.0  0.0  0.07  1.0
  Be  Be2  1  0.0  0.3  0.0  1.0
  Be  Be3  1  0.72  0.15  0.0  1.0

data_Sr3Be4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Be4
_chemical_formula_sum   'Sr3 Be4'
_cell_volume   207.98
_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  0.17  0.14  0.22  1.0
  Sr  Sr1  1  0.17  0.72  0.0  1.0
  Sr  Sr2  1  0.17  0.86  0.22  1.0
  Be  Be3  1  -0.0  0.0  0.3  1.0
  Be  Be4  1  -0.0  0.72  0.15  1.0
  Be  Be5  1  0.07  0.0  0.0  1.0
  Be  Be6  1  0.26  0.0  0.0  1.0

Sr Sr Sr Be Be Be Be