data_BaMn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   6.73
_cell_angle_alpha   109.28
_cell_angle_beta   109.28
_cell_angle_gamma   56.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Pb
_chemical_formula_sum   'Ba1 Mn2 Pb1'
_cell_volume   116.17
_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
  Ba  Ba0  1  0.64  0.0  0.41  1.0
  Mn  Mn1  1  0.86  0.0  0.19  1.0
  Mn  Mn2  1  0.16  0.0  0.04  1.0
  Pb  Pb3  1  0.97  0.0  0.97  1.0

data_BaMn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.74
_cell_length_c   6.73
_cell_angle_alpha   109.28
_cell_angle_beta   90.0
_cell_angle_gamma   118.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Pb
_chemical_formula_sum   'Ba1 Mn2 Pb1'
_cell_volume   116.17
_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
  Ba  Ba0  1  0.0  0.36  0.59  1.0
  Mn  Mn1  1  0.0  0.14  0.81  1.0
  Mn  Mn2  1  0.0  0.84  0.96  1.0
  Pb  Pb3  1  0.0  0.03  0.03  1.0

Ba Mn Mn Pb
Ba Mn Mn Pb 0 1 o o o 1 2 + o o 1 3 o o - 2 3 - o - 