data_[Er4Mg5Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8718]
_cell_length_b [3.5627]
_cell_length_c [9.8355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Mg5Pd2]
_chemical_formula_sum '[Er4 Mg5 Pd2]'
_cell_volume [275.5484]
_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  0.1637  0.5000  0.8564  1.0
  Er  Er1  2  0.2150  0.5000  0.4472  1.0
  Mg  Mg2  2  0.1869  0.0000  0.1548  1.0
  Mg  Mg3  2  0.4509  0.0000  0.6777  1.0
  Mg  Mg4  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd5  2  0.0683  0.0000  0.6428  1.0
]