data_Ba2YPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   148.16
_cell_angle_beta   129.35
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YPt
_chemical_formula_sum   'Ba2 Y1 Pt1'
_cell_volume   153.94
_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  0.1  0.17  1.0
  Ba  Ba1  1  0.0  0.0  0.91  1.0
  Y  Y3  1  0.0  0.0  0.39  1.0
  Pt  Pt2  1  0.0  0.1  0.26  1.0

data_Ba2YPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   6.2
_cell_length_c   7.25
_cell_angle_alpha   115.33
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YPt
_chemical_formula_sum   'Ba2 Y1 Pt1'
_cell_volume   153.94
_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  0.09  0.09  0.09  1.0
  Ba  Ba1  1  0.83  0.94  0.94  1.0
  Y  Y2  1  0.61  0.61  0.61  1.0
  Pt  Pt3  1  0.74  0.84  0.84  1.0

Ba Ba Y Pt