data_[Y4Ga1P1S2]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9903]
_cell_length_b [3.9448]
_cell_length_c [7.0076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y4GaPS2]
_chemical_formula_sum '[Y4 Ga1 P1 S2]'
_cell_volume [182.8834]
_cell_formula_units_Z [1]
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  2  0.2432  0.0000  0.7461  1
  Y  Y1  2  0.2451  0.5000  0.2444  1
  Ga  Ga2  1  0.5000  0.5000  0.0000  1
  P  P3  1  0.0000  0.0000  0.0000  1
  S  S4  1  0.0000  0.5000  0.5000  1
  S  S5  1  0.5000  0.0000  0.5000  1
]