data_Mn2BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.8
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   98.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BePb
_chemical_formula_sum   'Mn2 Be1 Pb1'
_cell_volume   63.11
_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  0.95  0.9  0.12  1.0
  Mn  Mn2  1  0.16  0.9  0.51  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.58  0.0  0.81  1.0

data_Mn2BePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.8
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   98.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BePb
_chemical_formula_sum   'Mn2 Be1 Pb1'
_cell_volume   63.11
_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  0.16  0.9  0.51  1.0
  Mn  Mn1  1  0.95  0.9  0.12  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.58  0.0  0.81  1.0

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