data_Sr2ScBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   149.47
_cell_angle_beta   131.57
_cell_angle_gamma   58.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScBe
_chemical_formula_sum   'Sr2 Sc1 Be1'
_cell_volume   127.53
_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  0.0  0.0  0.02  1.0
  Sr  Sr3  1  0.0  0.86  0.45  1.0
  Sc  Sc1  1  0.83  0.0  0.89  1.0
  Be  Be0  1  0.0  0.0  0.81  1.0

data_Sr2ScBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.71
_cell_length_c   6.97
_cell_angle_alpha   114.21
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScBe
_chemical_formula_sum   'Sr2 Sc1 Be1'
_cell_volume   127.53
_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  0.02  0.02  1.0
  Sr  Sr1  1  0.14  0.59  0.59  1.0
  Sc  Sc2  1  0.0  0.89  0.05  1.0
  Be  Be3  1  0.0  0.81  0.81  1.0

Sr Sr Sc Be