data_[Y16In4Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9743]
_cell_length_b [5.1648]
_cell_length_c [6.8130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8In2Ga]
_chemical_formula_sum '[Y16 In4 Ga2]'
_cell_volume [646.9046]
_cell_formula_units_Z [2]
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  0.0181  0.0000  0.7732  1.0
  Y  Y1  4  0.0911  0.5000  0.4591  1.0
  Y  Y2  4  0.1530  0.5000  0.9789  1.0
  Y  Y3  4  0.2087  0.0000  0.3064  1.0
  In  In4  4  0.1829  0.0000  0.7452  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]