data_SrZr2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   3.22
_cell_angle_alpha   103.54
_cell_angle_beta   103.54
_cell_angle_gamma   123.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Be
_chemical_formula_sum   'Sr1 Zr2 Be1'
_cell_volume   96.0
_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  0.04  0.0  0.0  1.0
  Zr  Zr2  1  0.73  0.19  0.4  1.0
  Zr  Zr3  1  0.73  0.81  0.4  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_SrZr2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.3
_cell_length_c   6.39
_cell_angle_alpha   113.81
_cell_angle_beta   103.54
_cell_angle_gamma   92.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Be
_chemical_formula_sum   'Sr1 Zr2 Be1'
_cell_volume   96.0
_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  0.0  0.04  1.0
  Zr  Zr1  1  0.21  0.81  0.54  1.0
  Zr  Zr2  1  0.59  0.19  0.92  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Sr Zr Zr Be