data_BaTe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.17
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe2W
_chemical_formula_sum   'Ba1 Te2 W1'
_cell_volume   141.42
_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  0.0  1.0
  Te  Te1  1  0.27  0.09  0.96  1.0
  Te  Te2  1  0.2  0.09  0.54  1.0
  W  W3  1  0.73  0.0  0.75  1.0

data_BaTe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.52
_cell_length_c   7.57
_cell_angle_alpha   97.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe2W
_chemical_formula_sum   'Ba1 Te2 W1'
_cell_volume   141.42
_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  0.0  1.0
  Te  Te1  1  0.91  0.73  0.04  1.0
  Te  Te2  1  0.91  0.8  0.46  1.0
  W  W3  1  0.0  0.27  0.25  1.0

Ba Te Te W
Ba Te Te W 0 1 o o - 0 3 - o - 1 2 o o o 2 3 - o o 2 3 o o o 