data_K2BaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   26.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaPt
_chemical_formula_sum   'K2 Ba1 Pt1'
_cell_volume   192.99
_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
  K  K1  1  0.14  0.0  0.66  1.0
  K  K2  1  0.0  0.0  0.47  1.0
  Ba  Ba0  1  0.0  0.0  0.97  1.0
  Pt  Pt3  1  0.14  0.0  0.66  1.0

data_K2BaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.64
_cell_length_c   10.01
_cell_angle_alpha   103.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaPt
_chemical_formula_sum   'K2 Ba1 Pt1'
_cell_volume   192.99
_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
  K  K0  1  0.0  0.47  0.47  1.0
  K  K1  1  0.86  0.66  0.66  1.0
  Ba  Ba2  1  0.0  0.97  0.97  1.0
  Pt  Pt3  1  0.86  0.66  0.66  1.0

K K Ba Pt 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 