data_[Er12Mg4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.1432]
_cell_length_b [5.4388]
_cell_length_c [10.8433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er3MgCu]
_chemical_formula_sum '[Er12 Mg4 Cu4]'
_cell_volume [531.7843]
_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  0.1328  0.1804  0.3567  1
  Er  Er1  4  0.1817  0.6677  0.5910  1
  Er  Er2  4  0.4017  0.1764  0.7320  1
  Mg  Mg3  4  0.3980  0.7390  0.9364  1
  Cu  Cu4  4  0.0869  0.1477  0.5998  1
]