data_SrBeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.16
_cell_length_c   4.16
_cell_angle_alpha   81.48
_cell_angle_beta   61.96
_cell_angle_gamma   36.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeSe
_chemical_formula_sum   'Sr1 Be1 Se1'
_cell_volume   83.73
_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  0.95  0.67  0.94  1.0
  Be  Be0  1  0.95  0.67  0.41  1.0
  Se  Se1  1  0.95  0.67  0.35  1.0

data_SrBeSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   11.69
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   117.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrBeSe
_chemical_formula_sum   'Sr2 Be2 Se2'
_cell_volume   167.47
_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  0.44  0.0  0.11  1.0
  Be  Be1  2  0.47  0.5  0.65  1.0
  Se  Se2  2  0.03  0.0  0.7  1.0

Sr Be Se