data_[Zr1Zn2Ga1H1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1082]
_cell_length_b [4.1082]
_cell_length_c [4.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ZrZn2GaH]
_chemical_formula_sum '[Zr1 Zn2 Ga1 H1]'
_cell_volume [69.6552]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.5000  1
  Zn  Zn1  2  0.0000  0.5000  0.0000  1
  Ga  Ga2  1  0.5000  0.5000  0.5000  1
  H  H3  1  0.0000  0.0000  0.0000  1
]