data_[Zr4Ga3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8094]
_cell_length_b [3.9587]
_cell_length_c [10.4002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr4Ga3Pd]
_chemical_formula_sum '[Zr4 Ga3 Pd1]'
_cell_volume [156.8373]
_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  0.1452  1.0
  Zr  Zr1  1  0.0000  0.5000  0.8525  1.0
  Zr  Zr2  1  0.5000  0.0000  0.6463  1.0
  Zr  Zr3  1  0.5000  0.5000  0.3569  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4197  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5801  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9167  1.0
  Pd  Pd7  1  0.5000  0.5000  0.0825  1.0
]