data_MnPbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.89
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPbSe2
_chemical_formula_sum   'Mn1 Pb1 Se2'
_cell_volume   103.43
_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  0.9  0.0  0.88  1.0
  Pb  Pb1  1  0.09  0.44  0.33  1.0
  Se  Se2  1  0.16  0.0  0.86  1.0
  Se  Se3  1  0.95  0.44  0.07  1.0

data_MnPbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.89
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPbSe2
_chemical_formula_sum   'Mn1 Pb1 Se2'
_cell_volume   103.43
_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  0.9  0.0  0.88  1.0
  Pb  Pb1  1  0.09  0.44  0.33  1.0
  Se  Se2  1  0.16  0.0  0.86  1.0
  Se  Se3  1  0.95  0.44  0.07  1.0

Mn Pb Se Se