data_BaTeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   139.42
_cell_angle_beta   139.42
_cell_angle_gamma   58.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTeW2
_chemical_formula_sum   'Ba1 Te1 W2'
_cell_volume   98.2
_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  0.37  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.14  0.0  0.69  1.0
  W  W3  1  0.0  0.14  0.69  1.0

data_BaTeW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   119.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTeW2
_chemical_formula_sum   'Ba2 Te2 W4'
_cell_volume   196.41
_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  0.0  0.0  0.63  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  W  W2  4  0.07  0.07  0.45  1.0

Ba Te W W