data_BeMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   2.7
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   116.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoW2
_chemical_formula_sum   'Be1 Mo1 W2'
_cell_volume   59.27
_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
  Mo  Mo1  1  0.68  0.0  0.0  1.0
  W  W2  1  0.88  0.82  0.27  1.0
  W  W3  1  0.88  0.18  0.27  1.0

data_BeMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.11
_cell_length_c   5.12
_cell_angle_alpha   117.05
_cell_angle_beta   100.33
_cell_angle_gamma   99.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoW2
_chemical_formula_sum   'Be1 Mo1 W2'
_cell_volume   59.27
_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
  Mo  Mo1  1  0.0  0.0  0.68  1.0
  W  W2  1  0.09  0.82  0.7  1.0
  W  W3  1  0.45  0.18  0.06  1.0

Be Mo W W
Be Mo W W 0 2 - - o 0 3 - o o 1 3 o o o 