data_[Er2Cu3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4905]
_cell_length_b [4.3091]
_cell_length_c [7.3922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er2Cu3Pd]
_chemical_formula_sum '[Er2 Cu3 Pd1]'
_cell_volume [111.1859]
_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  1  0.0000  0.0000  0.4982  1
  Er  Er1  1  0.0000  0.5000  0.0030  1
  Cu  Cu2  1  0.5000  0.0000  0.1548  1
  Cu  Cu3  1  0.5000  0.0000  0.8290  1
  Cu  Cu4  1  0.5000  0.5000  0.6792  1
  Pd  Pd5  1  0.5000  0.5000  0.3359  1
]