data_[Ho4Zr4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0070]
_cell_length_b [24.9845]
_cell_length_c [4.0749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HoZrGa3]
_chemical_formula_sum '[Ho4 Zr4 Ga12]'
_cell_volume [407.9546]
_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
[
  Ho  Ho0  4  0.0000  0.0754  0.2500  1.0
  Zr  Zr1  4  0.0000  0.2055  0.7500  1.0
  Ga  Ga2  4  0.0000  0.3174  0.7500  1.0
  Ga  Ga3  4  0.0000  0.3768  0.2500  1.0
  Ga  Ga4  4  0.0000  0.4748  0.2500  1.0
]