data_[Y4Mg4Ga4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5971]
_cell_length_b [7.5975]
_cell_length_c [10.7205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [YMgGaS4]
_chemical_formula_sum '[Y4 Mg4 Ga4 S16]'
_cell_volume [618.7720]
_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
[
  Y  Y0  4  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  4  0.2500  0.2500  0.2500  1.0
  Ga  Ga2  4  0.0000  0.2500  0.8695  1.0
  S  S3  8  0.0000  0.0101  0.2465  1.0
  S  S4  8  0.2453  0.2500  0.0036  1.0
]