data_Sr2YBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YBe
_chemical_formula_sum   'Sr2 Y1 Be1'
_cell_volume   137.06
_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  0.85  0.85  0.2  1.0
  Sr  Sr2  1  0.0  0.0  0.8  1.0
  Y  Y3  1  0.85  0.85  0.79  1.0
  Be  Be0  1  0.0  0.0  0.14  1.0

data_Sr2YBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2YBe
_chemical_formula_sum   'Sr4 Y2 Be2'
_cell_volume   274.12
_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  0.8  1.0
  Sr  Sr1  2  0.35  0.5  0.2  1.0
  Y  Y2  2  0.35  0.5  0.79  1.0
  Be  Be3  2  0.0  0.0  0.14  1.0

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