data_[Zr4In4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [10.8785]
_cell_length_b [4.4630]
_cell_length_c [5.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrInGa]
_chemical_formula_sum '[Zr4 In4 Ga4]'
_cell_volume [248.1700]
_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
[
  Zr  Zr0  4  0.1889  0.5000  0.2185  1
  In  In1  4  0.0084  0.0000  0.7633  1
  Ga  Ga2  4  0.1437  0.5000  0.6751  1
]