data_MnPdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   3.79
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPdSe2
_chemical_formula_sum   'Mn1 Pd1 Se2'
_cell_volume   77.69
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.59  0.0  0.39  1.0
  Se  Se2  1  0.92  0.9  0.21  1.0
  Se  Se3  1  0.26  0.9  0.57  1.0

data_MnPdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.29
_cell_length_c   4.9
_cell_angle_alpha   103.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPdSe2
_chemical_formula_sum   'Mn1 Pd1 Se2'
_cell_volume   77.69
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.41  0.61  1.0
  Se  Se2  1  0.1  0.08  0.79  1.0
  Se  Se3  1  0.1  0.74  0.43  1.0

Mn Pd Se Se