data_BiAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   7.9
_cell_angle_alpha   27.05
_cell_angle_beta   27.05
_cell_angle_gamma   27.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2Pd
_chemical_formula_sum   'Bi1 As2 Pd1'
_cell_volume   89.85
_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  0.0  0.0  0.41  1.0
  As  As0  1  0.0  0.0  0.2  1.0
  As  As1  1  0.0  0.0  0.61  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_BiAs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   3.69
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiAs2Pd
_chemical_formula_sum   'Bi2 As4 Pd2'
_cell_volume   179.69
_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
  Bi  Bi0  2  0.0  0.0  0.59  1.0
  As  As1  2  0.0  0.0  0.39  1.0
  As  As2  2  0.0  0.0  0.8  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

Bi As As Pd
Bi As As Pd 0 1 o o o 0 2 o o o 1 3 o o o 