data_BaRuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   152.05
_cell_angle_beta   148.06
_cell_angle_gamma   42.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRuW
_chemical_formula_sum   'Ba1 Ru1 W1'
_cell_volume   74.19
_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
  Ba  Ba0  1  0.0  0.0  0.02  1.0
  Ru  Ru1  1  0.0  0.0  1.0  1.0
  W  W2  1  0.0  0.0  0.44  1.0

data_BaRuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.68
_cell_length_c   6.69
_cell_angle_alpha   105.97
_cell_angle_beta   103.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRuW
_chemical_formula_sum   'Ba1 Ru1 W1'
_cell_volume   74.19
_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
  Ba  Ba0  1  0.0  0.02  0.02  1.0
  Ru  Ru1  1  0.0  1.0  1.0  1.0
  W  W2  1  0.0  0.44  0.44  1.0

Ba Ru W