data_[Er2Mg3Cd3]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5504]
_cell_length_b [4.8310]
_cell_length_c [8.7304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Er2(MgCd)3]
_chemical_formula_sum '[Er2 Mg3 Cd3]'
_cell_volume [191.9224]
_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  0.0000  0.2517  1
  Mg  Mg1  2  0.5000  0.5000  0.2566  1
  Mg  Mg2  1  0.0000  0.5000  0.0000  1
  Cd  Cd3  1  0.0000  0.5000  0.5000  1
  Cd  Cd4  1  0.5000  0.0000  0.0000  1
  Cd  Cd5  1  0.5000  0.0000  0.5000  1
]