data_SrTaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   149.62
_cell_angle_beta   149.62
_cell_angle_gamma   43.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaW
_chemical_formula_sum   'Sr1 Ta1 W1'
_cell_volume   73.11
_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
  Sr  Sr0  1  0.0  0.0  0.07  1.0
  Ta  Ta1  1  0.0  0.0  0.56  1.0
  W  W2  1  0.0  0.0  0.61  1.0

data_SrTaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   111.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTaW
_chemical_formula_sum   'Sr2 Ta2 W2'
_cell_volume   146.21
_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
  Sr  Sr0  2  0.07  0.0  0.07  1.0
  Ta  Ta1  2  0.06  0.5  0.56  1.0
  W  W2  2  0.11  0.5  0.61  1.0

Sr Ta W
Sr Ta W 0 2 o + o 0 2 + o o 0 2 o o - 0 2 o o o 0 0 + o + 0 0 o + + 0 1 o o - 0 1 o o o 1 2 o o o 