data_Ba2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   48.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GePt
_chemical_formula_sum   'Ba2 Ge1 Pt1'
_cell_volume   131.36
_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  0.96  1.0
  Ba  Ba1  1  0.32  0.0  0.02  1.0
  Ge  Ge2  1  0.0  0.0  0.49  1.0
  Pt  Pt3  1  0.32  0.0  0.48  1.0

data_Ba2GePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   5.05
_cell_length_c   6.15
_cell_angle_alpha   114.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GePt
_chemical_formula_sum   'Ba2 Ge1 Pt1'
_cell_volume   131.36
_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  0.96  0.96  1.0
  Ba  Ba1  1  0.68  0.02  0.02  1.0
  Ge  Ge2  1  0.0  0.49  0.49  1.0
  Pt  Pt3  1  0.68  0.48  0.48  1.0

Ba Ba Ge Pt