data_BeAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   151.89
_cell_angle_beta   143.94
_cell_angle_gamma   46.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAsSe2
_chemical_formula_sum   'Be1 As1 Se2'
_cell_volume   90.02
_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  Be1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.33  1.0
  Se  Se2  1  0.0  0.13  0.62  1.0
  Se  Se3  1  0.67  0.0  0.7  1.0

data_BeAsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.26
_cell_length_c   6.88
_cell_angle_alpha   108.03
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAsSe2
_chemical_formula_sum   'Be1 As1 Se2'
_cell_volume   90.02
_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  0.0  0.33  0.33  1.0
  Se  Se2  1  0.0  0.7  0.03  1.0
  Se  Se3  1  0.87  0.49  0.49  1.0

Be As Se Se
Be As Se Se 0 3 - o - 1 2 o o o 