data_[Er14Ni4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8617]
_cell_length_b [14.5886]
_cell_length_c [9.0469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Er7(NiIr)2]
_chemical_formula_sum '[Er14 Ni4 Ir4]'
_cell_volume [509.6784]
_cell_formula_units_Z [2]
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
[
  Er  Er0  4  0.0000  0.1122  0.7349  1
  Er  Er1  4  0.0000  0.3113  0.9486  1
  Er  Er2  4  0.0000  0.3713  0.5707  1
  Er  Er3  2  0.0000  0.0000  0.3377  1
  Ni  Ni4  4  0.0000  0.2401  0.2505  1
  Ir  Ir5  2  0.0000  0.0000  0.9998  1
  Ir  Ir6  2  0.0000  0.5000  0.0584  1
]