data_[Sr8Sm4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9864]
_cell_length_b [18.1543]
_cell_length_c [12.3749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2SmGaS5]
_chemical_formula_sum '[Sr8 Sm4 Ga4 S20]'
_cell_volume [895.5729]
_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
[
  Sr  Sr0  4  0.0000  0.1148  0.6820  1.0
  Sr  Sr1  4  0.0000  0.1225  0.3249  1.0
  Sm  Sm2  4  0.0000  0.2078  0.0267  1.0
  Ga  Ga3  4  0.0000  0.4441  0.4309  1.0
  S  S4  4  0.0000  0.0430  0.0349  1.0
  S  S5  4  0.0000  0.2942  0.6788  1.0
  S  S6  4  0.0000  0.3216  0.3679  1.0
  S  S7  4  0.0000  0.3556  0.0064  1.0
  S  S8  4  0.0000  0.4976  0.7715  1.0
]