data_BeIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   8.31
_cell_angle_alpha   19.24
_cell_angle_beta   19.24
_cell_angle_gamma   19.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIr2W
_chemical_formula_sum   'Be1 Ir2 W1'
_cell_volume   54.44
_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
  Ir  Ir1  1  0.0  0.0  0.13  1.0
  Ir  Ir2  1  0.0  0.0  0.32  1.0
  W  W3  1  0.0  0.0  0.23  1.0

data_BeIr2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   2.78
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeIr2W
_chemical_formula_sum   'Be2 Ir4 W2'
_cell_volume   108.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.68  1.0
  Ir  Ir2  2  0.0  0.0  0.87  1.0
  W  W3  2  0.0  0.0  0.77  1.0

Be Ir Ir W
Be Ir Ir W 0 1 o o o 1 3 o o o 2 3 o o o 