data_LaBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeW2
_chemical_formula_sum   'La1 Be1 W2'
_cell_volume   73.74
_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
  La  La1  1  0.82  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.41  0.6  0.36  1.0
  W  W3  1  0.41  0.4  0.36  1.0

data_LaBeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   119.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeW2
_chemical_formula_sum   'La1 Be1 W2'
_cell_volume   73.74
_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
  La  La0  1  0.0  0.82  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.36  0.41  0.4  1.0
  W  W3  1  0.36  0.41  0.6  1.0

La Be W W
La Be W W 0 1 + o o 2 3 o o o 