data_BaAsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   133.1
_cell_angle_beta   133.1
_cell_angle_gamma   68.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsPt2
_chemical_formula_sum   'Ba1 As1 Pt2'
_cell_volume   89.01
_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  Ba1  1  0.2  0.0  0.29  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.58  1.0
  Pt  Pt3  1  0.0  0.2  0.29  1.0

data_BaAsPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.54
_cell_angle_alpha   113.45
_cell_angle_beta   113.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsPt2
_chemical_formula_sum   'Ba1 As1 Pt2'
_cell_volume   89.01
_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  0.71  0.0  0.92  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.42  0.0  0.42  1.0
  Pt  Pt3  1  0.92  0.2  0.92  1.0

Ba As Pt Pt