data_BiPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   136.48
_cell_angle_beta   136.48
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Se
_chemical_formula_sum   'Bi1 Pd2 Se1'
_cell_volume   78.24
_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  0.04  0.0  0.35  1.0
  Pd  Pd1  1  0.0  0.0  0.69  1.0
  Pd  Pd2  1  0.0  0.04  0.35  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_BiPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.51
_cell_angle_alpha   111.76
_cell_angle_beta   111.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Se
_chemical_formula_sum   'Bi1 Pd2 Se1'
_cell_volume   78.24
_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  0.35  0.3  0.3  1.0
  Pd  Pd1  1  0.3  0.35  0.3  1.0
  Pd  Pd2  1  0.69  0.69  0.69  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Bi Pd Pd Se