data_[Er4Mg4Cd12]
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 [C2/m]
_cell_length_a [15.0486]
_cell_length_b [4.8937]
_cell_length_c [6.5510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMgCd3]
_chemical_formula_sum '[Er4 Mg4 Cd12]'
_cell_volume [467.5770]
_cell_formula_units_Z [4]
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  0.1147  0.5000  0.9697  1
  Mg  Mg1  4  0.2169  0.0000  0.3012  1
  Cd  Cd2  4  0.0165  0.0000  0.2307  1
  Cd  Cd3  4  0.0931  0.5000  0.4445  1
  Cd  Cd4  4  0.1783  0.0000  0.7433  1
]