data_BiAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   3.93
_cell_angle_alpha   108.26
_cell_angle_beta   108.26
_cell_angle_gamma   123.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2Pt
_chemical_formula_sum   'Bi1 As2 Pt1'
_cell_volume   84.64
_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
  Bi  Bi2  1  0.78  0.0  0.0  1.0
  As  As0  1  0.09  0.58  0.47  1.0
  As  As1  1  0.09  0.42  0.47  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_BiAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.18
_cell_length_c   5.86
_cell_angle_alpha   109.61
_cell_angle_beta   108.26
_cell_angle_gamma   93.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2Pt
_chemical_formula_sum   'Bi1 As2 Pt1'
_cell_volume   84.64
_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
  Bi  Bi0  1  0.0  0.0  0.78  1.0
  As  As1  1  0.06  0.58  0.67  1.0
  As  As2  1  0.89  0.42  0.51  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Bi As As Pt