data_MnPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.02
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   96.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPbW2
_chemical_formula_sum   'Mn1 Pb1 W2'
_cell_volume   69.23
_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
  Pb  Pb1  1  0.68  0.0  0.97  1.0
  W  W2  1  0.21  0.01  0.76  1.0
  W  W3  1  0.06  0.01  0.17  1.0

data_MnPbW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.9
_cell_length_b   4.02
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   96.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnPbW2
_chemical_formula_sum   'Mn1 Pb1 W2'
_cell_volume   69.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Pb  Pb1  1  0.68  0.0  0.97  1.0
  W  W2  1  0.06  0.0  0.17  1.0
  W  W3  1  0.21  0.0  0.76  1.0

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