data_[Mn2Ni2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6556]
_cell_length_b [3.8263]
_cell_length_c [9.4890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnNiPbSe3]
_chemical_formula_sum '[Mn2 Ni2 Pb2 Se6]'
_cell_volume [261.4833]
_cell_formula_units_Z [2]
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  2  0.2981  0.7500  0.8340  1.0
  Ni  Ni1  2  0.0802  0.2500  0.6014  1.0
  Pb  Pb2  2  0.2574  0.2500  0.2764  1.0
  Se  Se3  2  0.0751  0.2500  0.8502  1.0
  Se  Se4  2  0.2427  0.7500  0.5577  1.0
  Se  Se5  2  0.4442  0.7500  0.1240  1.0
]