data_[Er2Be4Cu1Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8827]
_cell_length_b [3.8827]
_cell_length_c [9.5970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Er2Be4CuIr3]
_chemical_formula_sum '[Er2 Be4 Cu1 Ir3]'
_cell_volume [144.6782]
_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
[
  Er  Er0  2  0.0000  0.5000  0.7529  1.0
  Be  Be1  2  0.0000  0.5000  0.3718  1.0
  Be  Be2  1  0.0000  0.0000  0.0000  1.0
  Be  Be3  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu4  1  0.5000  0.5000  0.5000  1.0
  Ir  Ir5  2  0.0000  0.5000  0.1298  1.0
  Ir  Ir6  1  0.0000  0.0000  0.5000  1.0
]