data_Mn2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   141.57
_cell_angle_beta   141.57
_cell_angle_gamma   55.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PbSe
_chemical_formula_sum   'Mn2 Pb1 Se1'
_cell_volume   83.0
_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  0.98  0.66  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.98  0.0  0.66  1.0
  Se  Se3  1  0.0  0.0  0.31  1.0

data_Mn2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.0
_cell_angle_alpha   109.22
_cell_angle_beta   109.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PbSe
_chemical_formula_sum   'Mn2 Pb1 Se1'
_cell_volume   83.0
_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
  Mn  Mn1  1  0.32  0.98  0.32  1.0
  Pb  Pb2  1  0.34  0.0  0.32  1.0
  Se  Se3  1  0.69  0.0  0.69  1.0

Mn Mn Pb Se