data_Be2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   6.0
_cell_angle_alpha   92.05
_cell_angle_beta   92.05
_cell_angle_gamma   31.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Mo
_chemical_formula_sum   'Be4 Mo2'
_cell_volume   67.01
_cell_formula_units_Z   2
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  0.35  0.0  0.37  1.0
  Be  Be1  1  0.82  0.0  0.96  1.0
  Be  Be2  1  0.34  0.0  0.5  1.0
  Be  Be3  1  0.48  0.0  0.7  1.0
  Mo  Mo4  1  1.0  0.0  0.84  1.0
  Mo  Mo5  1  0.65  0.0  0.63  1.0

data_Be2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   4.62
_cell_length_c   6.0
_cell_angle_alpha   92.05
_cell_angle_beta   90.0
_cell_angle_gamma   105.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Mo
_chemical_formula_sum   'Be4 Mo2'
_cell_volume   67.01
_cell_formula_units_Z   2
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  0.18  0.04  1.0
  Be  Be1  1  0.0  0.52  0.3  1.0
  Be  Be2  1  0.0  0.65  0.63  1.0
  Be  Be3  1  0.0  0.66  0.5  1.0
  Mo  Mo4  1  0.0  0.0  0.16  1.0
  Mo  Mo5  1  0.0  0.35  0.37  1.0

Be Be Be Be Mo Mo
Be Be Be Be Mo Mo 0 2 o o o 1 4 o o o 3 5 o o o 