data_AlB2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   5.28
_cell_angle_alpha   111.25
_cell_angle_beta   111.25
_cell_angle_gamma   81.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlB2Se
_chemical_formula_sum   'Al1 B2 Se1'
_cell_volume   51.84
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.26  0.0  0.86  1.0
  B  B2  1  0.29  0.0  0.77  1.0
  Se  Se3  1  0.73  0.0  0.31  1.0

data_AlB2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   5.13
_cell_angle_alpha   106.31
_cell_angle_beta   106.44
_cell_angle_gamma   98.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlB2Se
_chemical_formula_sum   'Al1 B2 Se1'
_cell_volume   51.84
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.39  0.0  0.14  1.0
  B  B2  1  0.52  0.0  0.23  1.0
  Se  Se3  1  0.42  0.0  0.69  1.0

Al B B Se