data_BeNb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   41.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Se
_chemical_formula_sum   'Be1 Nb2 Se1'
_cell_volume   59.75
_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  0.09  1.0
  Nb  Nb1  1  0.83  0.0  0.31  1.0
  Nb  Nb2  1  0.0  0.0  0.56  1.0
  Se  Se3  1  0.83  0.0  0.65  1.0

data_BeNb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.65
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   110.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Se
_chemical_formula_sum   'Be1 Nb2 Se1'
_cell_volume   59.75
_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  0.91  0.0  0.91  1.0
  Nb  Nb1  1  0.44  0.0  0.44  1.0
  Nb  Nb2  1  0.69  0.83  0.69  1.0
  Se  Se3  1  0.35  0.83  0.35  1.0

Be Nb Nb Se