data_BeNbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.7
_cell_angle_alpha   100.55
_cell_angle_beta   100.55
_cell_angle_gamma   117.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbW2
_chemical_formula_sum   'Be1 Nb1 W2'
_cell_volume   61.46
_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
  Nb  Nb1  1  0.72  0.0  0.0  1.0
  W  W2  1  0.88  0.76  0.26  1.0
  W  W3  1  0.88  0.24  0.26  1.0

data_BeNbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.14
_cell_length_c   5.23
_cell_angle_alpha   116.87
_cell_angle_beta   100.55
_cell_angle_gamma   98.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbW2
_chemical_formula_sum   'Be1 Nb1 W2'
_cell_volume   61.46
_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
  Nb  Nb1  1  0.0  0.0  0.72  1.0
  W  W2  1  0.03  0.76  0.65  1.0
  W  W3  1  0.5  0.24  0.12  1.0

Be Nb W W