data_[Er16Tm4Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4061]
_cell_length_b [6.0391]
_cell_length_c [11.6918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4TmMg]
_chemical_formula_sum '[Er16 Tm4 Mg4]'
_cell_volume [701.4281]
_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  8  0.0820  0.2470  0.4998  1
  Er  Er1  8  0.1670  0.4186  0.2502  1
  Tm  Tm2  4  0.2500  0.2500  0.0000  1
  Mg  Mg3  4  0.0000  0.0827  0.7500  1
]