data_Mn2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   129.03
_cell_angle_beta   129.03
_cell_angle_gamma   74.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AgPb
_chemical_formula_sum   'Mn2 Ag1 Pb1'
_cell_volume   73.7
_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  Mn1  1  0.15  0.0  0.99  1.0
  Mn  Mn2  1  0.0  0.15  0.99  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.97  1.0

data_Mn2AgPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   127.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AgPb
_chemical_formula_sum   'Mn4 Ag2 Pb2'
_cell_volume   147.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.42  0.42  0.83  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.97  1.0

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