data_BeRe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.7
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   116.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2W
_chemical_formula_sum   'Be1 Re2 W1'
_cell_volume   57.08
_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  0.8  0.15  0.23  1.0
  Re  Re2  1  0.8  0.85  0.23  1.0
  W  W3  1  0.68  0.0  0.0  1.0

data_BeRe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.94
_cell_length_c   5.07
_cell_angle_alpha   117.25
_cell_angle_beta   102.33
_cell_angle_gamma   96.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2W
_chemical_formula_sum   'Be1 Re2 W1'
_cell_volume   57.08
_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  0.08  0.85  0.64  1.0
  Re  Re2  1  0.39  0.15  0.95  1.0
  W  W3  1  0.0  0.0  0.68  1.0

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