data_Sr2BeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   41.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeAs
_chemical_formula_sum   'Sr2 Be1 As1'
_cell_volume   110.85
_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  0.04  0.0  0.82  1.0
  Sr  Sr3  1  0.0  0.0  0.16  1.0
  Be  Be1  1  0.0  0.0  0.86  1.0
  As  As0  1  0.04  0.0  0.18  1.0

data_Sr2BeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.53
_cell_length_c   6.42
_cell_angle_alpha   110.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeAs
_chemical_formula_sum   'Sr2 Be1 As1'
_cell_volume   110.85
_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  0.16  0.16  1.0
  Sr  Sr1  1  0.96  0.82  0.82  1.0
  Be  Be2  1  0.0  0.86  0.86  1.0
  As  As3  1  0.96  0.18  0.18  1.0

Sr Sr Be As