data_[Mg1Sn2Pb1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3052]
_cell_length_b [4.2284]
_cell_length_c [7.3589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgSn2PbSe4]
_chemical_formula_sum '[Mg1 Sn2 Pb1 Se4]'
_cell_volume [214.4974]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.0000  1
  Sn  Sn1  1  0.5000  0.0000  0.5000  1
  Sn  Sn2  1  0.5000  0.5000  0.0000  1
  Pb  Pb3  1  0.0000  0.5000  0.5000  1
  Se  Se4  2  0.2341  0.5000  0.2285  1
  Se  Se5  2  0.2455  0.0000  0.7658  1
]