data_BAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Pt
_chemical_formula_sum   'B1 As2 Pt1'
_cell_volume   68.62
_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  B2  1  0.0  0.0  0.77  1.0
  As  As0  1  0.0  0.0  0.37  1.0
  As  As1  1  0.66  0.0  0.14  1.0
  Pt  Pt3  1  0.66  0.0  0.48  1.0

data_BAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Pt
_chemical_formula_sum   'B1 As2 Pt1'
_cell_volume   68.62
_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  B0  1  0.0  0.0  0.77  1.0
  As  As1  1  0.0  0.0  0.37  1.0
  As  As2  1  0.66  0.0  0.14  1.0
  Pt  Pt3  1  0.66  0.0  0.48  1.0

B As As Pt