data_[Mn1Pb1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8894]
_cell_length_b [4.1415]
_cell_length_c [5.8991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnPbW2]
_chemical_formula_sum '[Mn1 Pb1 W2]'
_cell_volume [70.2933]
_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  0.5000  0.5000  0.0000  1
  Pb  Pb1  1  0.5000  0.5000  0.5000  1
  W  W2  2  0.0988  0.0000  0.7997  1
]