data_Be2RePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   147.44
_cell_angle_beta   120.78
_cell_angle_gamma   69.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2RePt
_chemical_formula_sum   'Be2 Re1 Pt1'
_cell_volume   50.3
_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  0.37  0.91  1.0
  Be  Be1  1  0.34  0.0  0.03  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.95  1.0

data_Be2RePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.74
_cell_length_c   4.8
_cell_angle_alpha   119.61
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2RePt
_chemical_formula_sum   'Be2 Re1 Pt1'
_cell_volume   50.3
_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  0.09  0.46  0.46  1.0
  Be  Be1  1  0.31  0.97  0.31  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.05  0.05  0.05  1.0

Be Be Re Pt
Be Be Re Pt 0 2 o o + 0 1 o o + 0 3 o o o 1 2 o o o 1 3 o o - 2 3 o o - 