data_MnOsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.6
_cell_angle_alpha   101.5
_cell_angle_beta   101.5
_cell_angle_gamma   41.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOsPb2
_chemical_formula_sum   'Mn1 Os1 Pb2'
_cell_volume   75.47
_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
  Os  Os1  1  0.69  0.0  0.74  1.0
  Pb  Pb2  1  0.13  0.0  0.34  1.0
  Pb  Pb3  1  0.26  0.0  0.13  1.0

data_MnOsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.58
_cell_length_c   5.6
_cell_angle_alpha   101.5
_cell_angle_beta   90.0
_cell_angle_gamma   110.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOsPb2
_chemical_formula_sum   'Mn1 Os1 Pb2'
_cell_volume   75.47
_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
  Os  Os1  1  0.0  0.31  0.26  1.0
  Pb  Pb2  1  0.0  0.74  0.87  1.0
  Pb  Pb3  1  0.0  0.87  0.66  1.0

Mn Os Pb Pb
Mn Os Pb Pb 0 3 o o o 0 1 - o - 2 3 o o o 