data_BAsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   151.59
_cell_angle_beta   151.59
_cell_angle_gamma   40.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAsPt
_chemical_formula_sum   'B1 As1 Pt1'
_cell_volume   47.89
_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
  B  B1  1  0.0  0.0  0.23  1.0
  As  As0  1  0.0  0.0  0.89  1.0
  Pt  Pt2  1  0.0  0.0  0.25  1.0

data_BAsPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   110.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BAsPt
_chemical_formula_sum   'B2 As2 Pt2'
_cell_volume   95.78
_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
  B  B0  2  0.23  0.0  0.23  1.0
  As  As1  2  0.39  0.5  0.89  1.0
  Pt  Pt2  2  0.25  0.0  0.25  1.0

B As Pt