data_Sr2TaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72
_cell_length_b   10.72
_cell_length_c   10.72
_cell_angle_alpha   18.24
_cell_angle_beta   18.24
_cell_angle_gamma   18.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaBe
_chemical_formula_sum   'Sr2 Ta1 Be1'
_cell_volume   105.35
_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  0.0  0.0  0.58  1.0
  Sr  Sr2  1  0.0  0.0  0.04  1.0
  Ta  Ta3  1  0.0  0.0  0.81  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Sr2TaBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   3.4
_cell_length_c   10.72
_cell_angle_alpha   90.0
_cell_angle_beta   100.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TaBe
_chemical_formula_sum   'Sr4 Ta2 Be2'
_cell_volume   210.7
_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  0.0  0.0  0.42  1.0
  Sr  Sr1  2  0.0  0.0  0.96  1.0
  Ta  Ta2  2  0.0  0.0  0.19  1.0
  Be  Be3  2  0.0  0.0  0.0  1.0

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