data_BaInW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.18
_cell_length_c   3.09
_cell_angle_alpha   79.67
_cell_angle_beta   78.59
_cell_angle_gamma   21.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInW
_chemical_formula_sum   'Ba1 In1 W1'
_cell_volume   75.41
_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  0.13  0.24  0.71  1.0
  In  In1  1  0.13  0.24  0.84  1.0
  W  W2  1  0.13  0.24  0.04  1.0

data_BaInW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   15.8
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   133.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaInW
_chemical_formula_sum   'Ba2 In2 W2'
_cell_volume   150.81
_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
  Ba  Ba0  2  0.24  0.0  0.16  1.0
  In  In1  2  0.24  0.0  0.03  1.0
  W  W2  2  0.24  0.0  0.83  1.0

Ba In W