data_BeRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   4.18
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2Te
_chemical_formula_sum   'Be1 Re2 Te1'
_cell_volume   70.73
_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
  Re  Re1  1  0.56  0.09  0.83  1.0
  Re  Re2  1  0.34  0.09  0.04  1.0
  Te  Te3  1  0.45  0.0  0.44  1.0

data_BeRe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.18
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2Te
_chemical_formula_sum   'Be1 Re2 Te1'
_cell_volume   70.73
_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
  Re  Re1  1  0.34  0.09  0.04  1.0
  Re  Re2  1  0.56  0.09  0.83  1.0
  Te  Te3  1  0.45  0.0  0.44  1.0

Be Re Re Te
Be Re Re Te 0 2 o o o 1 2 o o + 1 3 o o o 2 3 o o o 