data_Sr2TiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   136.58
_cell_angle_beta   119.23
_cell_angle_gamma   77.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiW
_chemical_formula_sum   'Sr2 Ti1 W1'
_cell_volume   121.19
_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  0.33  1.0
  Sr  Sr1  1  0.0  1.0  1.0  1.0
  Ti  Ti2  1  0.0  0.0  0.88  1.0
  W  W3  1  0.19  0.0  0.02  1.0

data_Sr2TiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   60.77
_cell_angle_beta   68.29
_cell_angle_gamma   68.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiW
_chemical_formula_sum   'Sr2 Ti1 W1'
_cell_volume   121.19
_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  0.33  1.0
  Sr  Sr1  1  1.0  -0.0  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.88  1.0
  W  W3  1  0.0  0.81  0.02  1.0

Sr Sr Ti W