data_[Sm4Te2Pd1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5301]
_cell_length_b [4.2325]
_cell_length_c [7.5974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Te2PdSe]
_chemical_formula_sum '[Sm4 Te2 Pd1 Se1]'
_cell_volume [228.9613]
_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
[
  Sm  Sm0  2  0.2419  0.5000  0.2288  1
  Sm  Sm1  2  0.2692  0.0000  0.7809  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Pd  Pd4  1  0.5000  0.5000  0.0000  1
  Se  Se5  1  0.0000  0.0000  0.0000  1
]