data_[Zr4Ni3Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3714]
_cell_length_b [4.1370]
_cell_length_c [10.0237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr4Ni3Ir]
_chemical_formula_sum '[Zr4 Ni3 Ir1]'
_cell_volume [139.8077]
_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  0.1435  1
  Zr  Zr1  1  0.0000  0.5000  0.8565  1
  Zr  Zr2  1  0.5000  0.0000  0.6393  1
  Zr  Zr3  1  0.5000  0.5000  0.3635  1
  Ni  Ni4  1  0.0000  0.0000  0.4213  1
  Ni  Ni5  1  0.0000  0.5000  0.5823  1
  Ni  Ni6  1  0.5000  0.0000  0.9070  1
  Ir  Ir7  1  0.5000  0.5000  0.0865  1
]