data_[Nd1Er1Mg1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4624]
_cell_length_b [3.4624]
_cell_length_c [8.3600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [NdErMgRu]
_chemical_formula_sum '[Nd1 Er1 Mg1 Ru1]'
_cell_volume [100.2209]
_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
[
  Nd  Nd0  1  0.5000  0.5000  0.7721  1.0
  Er  Er1  1  0.5000  0.5000  0.3714  1.0
  Mg  Mg2  1  0.0000  0.0000  0.0826  1.0
  Ru  Ru3  1  0.0000  0.0000  0.5586  1.0
]