data_Mn2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   126.64
_cell_angle_beta   126.64
_cell_angle_gamma   78.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2RuPb
_chemical_formula_sum   'Mn2 Ru1 Pb1'
_cell_volume   65.7
_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  Mn0  1  0.0  0.12  0.83  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.65  1.0
  Pb  Pb2  1  0.12  0.0  0.83  1.0

data_Mn2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.72
_cell_angle_alpha   116.68
_cell_angle_beta   116.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2RuPb
_chemical_formula_sum   'Mn2 Ru1 Pb1'
_cell_volume   65.7
_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  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.7  0.83  0.7  1.0
  Ru  Ru2  1  0.65  0.65  0.65  1.0
  Pb  Pb3  1  0.83  0.7  0.7  1.0

Mn Mn Ru Pb