data_BeAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   3.7
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   106.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Se
_chemical_formula_sum   'Be1 As2 Se1'
_cell_volume   72.31
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.07  0.85  0.87  1.0
  As  As1  1  0.96  0.85  0.58  1.0
  Se  Se3  1  0.52  0.0  0.23  1.0

data_BeAs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.39
_cell_length_c   4.65
_cell_angle_alpha   106.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Se
_chemical_formula_sum   'Be1 As2 Se1'
_cell_volume   72.31
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.15  0.04  0.42  1.0
  As  As2  1  0.15  0.93  0.13  1.0
  Se  Se3  1  0.0  0.48  0.77  1.0

Be As As Se