data_Sr2MgBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.7
_cell_angle_alpha   114.21
_cell_angle_beta   114.21
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgBe
_chemical_formula_sum   'Sr2 Mg1 Be1'
_cell_volume   124.02
_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  Sr2  1  0.11  0.0  0.06  1.0
  Sr  Sr3  1  0.91  0.0  0.59  1.0
  Mg  Mg1  1  0.62  0.0  0.56  1.0
  Be  Be0  1  0.87  0.0  0.52  1.0

data_Sr2MgBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.7
_cell_length_c   6.66
_cell_angle_alpha   114.21
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgBe
_chemical_formula_sum   'Sr2 Mg1 Be1'
_cell_volume   124.02
_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  0.06  0.11  1.0
  Sr  Sr1  1  0.0  0.59  0.91  1.0
  Mg  Mg2  1  0.0  0.56  0.62  1.0
  Be  Be3  1  0.0  0.52  0.87  1.0

Sr Sr Mg Be
Sr Sr Mg Be 0 3 - o - 0 1 - o - 1 3 o o o 1 2 o o o 2 3 o o o 