data_Cr2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   2.89
_cell_angle_alpha   92.36
_cell_angle_beta   92.36
_cell_angle_gamma   112.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PdSe
_chemical_formula_sum   'Cr2 Pd1 Se1'
_cell_volume   55.58
_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
  Cr  Cr0  1  0.16  0.9  0.44  1.0
  Cr  Cr1  1  0.16  0.1  0.44  1.0
  Pd  Pd2  1  0.54  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cr2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   112.62
_cell_angle_beta   92.36
_cell_angle_gamma   92.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PdSe
_chemical_formula_sum   'Cr2 Pd1 Se1'
_cell_volume   55.58
_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
  Cr  Cr0  1  0.44  0.16  0.1  1.0
  Cr  Cr1  1  0.44  0.16  0.9  1.0
  Pd  Pd2  1  0.0  0.54  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cr Cr Pd Se