data_Sr2InW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   6.76
_cell_angle_alpha   95.67
_cell_angle_beta   95.67
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InW
_chemical_formula_sum   'Sr2 In1 W1'
_cell_volume   114.89
_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  Sr1  1  0.15  0.0  0.98  1.0
  Sr  Sr2  1  0.9  0.0  0.75  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.03  0.0  0.36  1.0

data_Sr2InW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.61
_cell_length_c   6.76
_cell_angle_alpha   95.67
_cell_angle_beta   90.0
_cell_angle_gamma   106.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InW
_chemical_formula_sum   'Sr2 In1 W1'
_cell_volume   114.89
_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  0.1  0.25  1.0
  Sr  Sr1  1  0.0  0.85  0.02  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.97  0.64  1.0

Sr Sr In W
Sr Sr In W 0 2 o o + 0 1 - o o 0 3 o o + 1 2 + o + 1 3 + o o 2 3 o o o 