data_SrZr2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Be
_chemical_formula_sum   'Sr1 Zr2 Be1'
_cell_volume   97.44
_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  Sr1  1  0.7  0.7  0.92  1.0
  Zr  Zr2  1  0.0  0.0  0.52  1.0
  Zr  Zr3  1  0.7  0.7  0.49  1.0
  Be  Be0  1  0.0  0.0  0.73  1.0

data_SrZr2Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZr2Be
_chemical_formula_sum   'Sr2 Zr4 Be2'
_cell_volume   194.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.2  0.5  0.92  1.0
  Zr  Zr1  2  0.0  0.0  0.52  1.0
  Zr  Zr2  2  0.2  0.5  0.49  1.0
  Be  Be3  2  0.0  0.0  0.73  1.0

Sr Zr Zr Be