data_Be2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.86
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeRu
_chemical_formula_sum   'Be2 Te1 Ru1'
_cell_volume   60.85
_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  0.13  0.0  0.48  1.0
  Be  Be1  1  0.0  0.93  0.1  1.0
  Te  Te3  1  0.23  0.93  0.54  1.0
  Ru  Ru2  1  0.87  0.0  0.25  1.0

data_Be2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.86
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeRu
_chemical_formula_sum   'Be2 Te1 Ru1'
_cell_volume   60.85
_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  0.93  0.1  1.0
  Be  Be1  1  0.13  0.0  0.48  1.0
  Te  Te2  1  0.23  0.93  0.54  1.0
  Ru  Ru3  1  0.87  0.0  0.25  1.0

Be Be Te Ru
Be Be Te Ru 0 2 o - o 1 3 - + o 