data_Be2ReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   139.72
_cell_angle_beta   128.46
_cell_angle_gamma   67.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReMo
_chemical_formula_sum   'Be2 Re1 Mo1'
_cell_volume   48.18
_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  0.18  1.0
  Be  Be1  1  0.58  0.0  0.74  1.0
  Re  Re3  1  0.0  1.0  0.98  1.0
  Mo  Mo2  1  0.0  0.0  0.74  1.0

data_Be2ReMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.99
_cell_length_c   4.59
_cell_angle_alpha   115.77
_cell_angle_beta   110.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReMo
_chemical_formula_sum   'Be2 Re1 Mo1'
_cell_volume   48.18
_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  0.82  0.82  0.82  1.0
  Be  Be1  1  0.84  0.26  0.84  1.0
  Re  Re2  1  0.02  0.02  0.02  1.0
  Mo  Mo3  1  0.26  0.26  0.26  1.0

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