data_SrTiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiBe
_chemical_formula_sum   'Sr1 Ti1 Be1'
_cell_volume   69.29
_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  0.72  0.99  0.04  1.0
  Ti  Ti2  1  0.0  0.98  0.03  1.0
  Be  Be0  1  0.0  0.0  0.51  1.0

data_SrTiBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.43
_cell_length_b   5.95
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTiBe
_chemical_formula_sum   'Sr2 Ti2 Be2'
_cell_volume   138.58
_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  0.22  0.5  0.04  1.0
  Ti  Ti1  2  0.0  0.0  0.03  1.0
  Be  Be2  2  0.5  0.5  0.51  1.0

Sr Ti Be
Sr Ti Be 0 1 + o o 0 2 + + o 0 2 + + - 0 2 o + o 1 2 o + o 1 2 o + - 2 2 + + o 2 2 o + o 2 2 + o o 