data_[Y2Mg1Ga3Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0093]
_cell_length_b [4.0093]
_cell_length_c [10.3695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Y2MgGa3Ni4]
_chemical_formula_sum '[Y2 Mg1 Ga3 Ni4]'
_cell_volume [166.6811]
_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  0.0000  0.5000  0.7611  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.1244  1.0
  Ga  Ga3  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.3524  1.0
  Ni  Ni5  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni6  1  0.5000  0.5000  0.0000  1.0
]