data_[Y4Ga4Sn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2715]
_cell_length_b [13.8280]
_cell_length_c [10.7529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YGaSnSe3]
_chemical_formula_sum '[Y4 Ga4 Sn4 Se12]'
_cell_volume [635.1398]
_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  0.5000  0.0000  1
  Ga  Ga1  4  0.0000  0.0616  0.2500  1
  Sn  Sn2  4  0.0000  0.2190  0.7500  1
  Se  Se3  8  0.0000  0.1429  0.0230  1
  Se  Se4  4  0.0000  0.4197  0.2500  1
]