data_[Sm8Ga4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0444]
_cell_length_b [18.1297]
_cell_length_c [11.6428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2GaCuSe5]
_chemical_formula_sum '[Sm8 Ga4 Cu4 Se20]'
_cell_volume [853.7078]
_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  0.1095  0.6721  1.0
  Sm  Sm1  4  0.0000  0.1242  0.2932  1.0
  Ga  Ga2  4  0.0000  0.4100  0.4616  1.0
  Cu  Cu3  4  0.0000  0.2579  0.1101  1.0
  Se  Se4  4  0.0000  0.0420  0.0604  1.0
  Se  Se5  4  0.0000  0.3084  0.3209  1.0
  Se  Se6  4  0.0000  0.3086  0.6366  1.0
  Se  Se7  4  0.0000  0.3618  0.9861  1.0
  Se  Se8  4  0.0000  0.4963  0.2829  1.0
]