data_[Y4Ga4Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7170]
_cell_length_b [4.1415]
_cell_length_c [4.0952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YGaSi]
_chemical_formula_sum '[Y4 Ga4 Si4]'
_cell_volume [239.7498]
_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  0.1173  0.0000  0.8647  1.0
  Ga  Ga1  4  0.2084  0.5000  0.4342  1.0
  Si  Si2  4  0.0411  0.5000  0.2912  1.0
]