data_BaSr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   120.96
_cell_angle_beta   120.96
_cell_angle_gamma   88.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2W
_chemical_formula_sum   'Ba1 Sr2 W1'
_cell_volume   148.31
_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
  Sr  Sr1  1  0.94  0.0  0.14  1.0
  Sr  Sr2  1  0.0  0.94  0.14  1.0
  W  W3  1  0.0  0.0  0.28  1.0

data_BaSr2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   134.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2W
_chemical_formula_sum   'Ba2 Sr4 W2'
_cell_volume   296.63
_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  0.0  1.0
  Sr  Sr1  4  0.03  0.03  0.2  1.0
  W  W2  2  0.0  0.0  0.28  1.0

Ba Sr Sr W