data_[Sr8Y4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  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 [3.9571]
_cell_length_b [17.9377]
_cell_length_c [12.3938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2YGaS5]
_chemical_formula_sum '[Sr8 Y4 Ga4 S20]'
_cell_volume [879.7253]
_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  0.1164  0.6815  1.0
  Sr  Sr1  4  0.0000  0.1253  0.3236  1.0
  Y  Y2  4  0.0000  0.2078  0.0265  1.0
  Ga  Ga3  4  0.0000  0.4432  0.4317  1.0
  S  S4  4  0.0000  0.0453  0.0366  1.0
  S  S5  4  0.0000  0.2932  0.6745  1.0
  S  S6  4  0.0000  0.3185  0.3713  1.0
  S  S7  4  0.0000  0.3545  0.0057  1.0
  S  S8  4  0.0000  0.4981  0.7726  1.0
]