data_[Sm4Zn4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8561]
_cell_length_b [12.7609]
_cell_length_c [10.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmZnCuSe3]
_chemical_formula_sum '[Sm4 Zn4 Cu4 Se12]'
_cell_volume [533.2092]
_cell_formula_units_Z [4]
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  4  0.0000  0.5000  0.0000  1
  Zn  Zn1  4  0.0000  0.2758  0.2500  1
  Cu  Cu2  4  0.0000  0.0202  0.7500  1
  Se  Se3  8  0.0000  0.1537  0.5864  1
  Se  Se4  4  0.0000  0.3948  0.7500  1
]