data_BeRuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRuSe
_chemical_formula_sum   'Be1 Ru1 Se1'
_cell_volume   42.2
_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
  Ru  Ru1  1  0.96  0.13  0.0  1.0
  Se  Se2  1  0.0  0.26  0.59  1.0

data_BeRuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.92
_cell_length_c   3.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRuSe
_chemical_formula_sum   'Be1 Ru1 Se1'
_cell_volume   42.2
_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
  Ru  Ru1  1  0.0  0.96  0.13  1.0
  Se  Se2  1  0.59  0.0  0.26  1.0

Be Ru Se
Be Ru Se 0 1 - o o 0 2 o o - 1 2 + o - 