data_[Er6Tm4Mg6]
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 [Immm]
_cell_length_a [3.7033]
_cell_length_b [5.3796]
_cell_length_c [22.1747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3Tm2Mg3]
_chemical_formula_sum '[Er6 Tm4 Mg6]'
_cell_volume [441.7743]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.3735  1.0
  Er  Er1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.5000  0.2648  1.0
  Mg  Mg3  4  0.0000  0.0000  0.1169  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
]