data_[Y4Be4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9956]
_cell_length_b [3.9956]
_cell_length_c [14.1444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [YBeGa]
_chemical_formula_sum '[Y4 Be4 Ga4]'
_cell_volume [225.8127]
_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  2  0.0000  0.0000  0.0000  1
  Y  Y1  2  0.0000  0.5000  0.2500  1
  Be  Be2  4  0.0000  0.5000  0.6717  1
  Ga  Ga3  4  0.0000  0.0000  0.4093  1
]