data_BaSr2Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.72
_cell_length_b   13.72
_cell_length_c   13.72
_cell_angle_alpha   17.2
_cell_angle_beta   17.2
_cell_angle_gamma   17.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Y
_chemical_formula_sum   'Ba1 Sr2 Y1'
_cell_volume   196.88
_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  0.27  1.0
  Sr  Sr1  1  0.0  0.0  0.1  1.0
  Sr  Sr2  1  0.0  0.0  0.44  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0

data_BaSr2Y
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   4.1
_cell_length_c   13.72
_cell_angle_alpha   90.0
_cell_angle_beta   99.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2Y
_chemical_formula_sum   'Ba2 Sr4 Y2'
_cell_volume   393.77
_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  0.73  1.0
  Sr  Sr1  2  0.0  0.0  0.56  1.0
  Sr  Sr2  2  0.0  0.0  0.9  1.0
  Y  Y3  2  0.0  0.0  0.0  1.0

Ba Sr Sr Y
Ba Sr Sr Y 0 1 o o o 0 2 o o o 1 3 o o o 