data_[Nd2Er2Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7958]
_cell_length_b [3.8748]
_cell_length_c [8.0535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdErSi2]
_chemical_formula_sum '[Nd2 Er2 Si4]'
_cell_volume [180.8538]
_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
[
  Nd  Nd0  2  0.1148  0.7500  0.1805  1
  Er  Er1  2  0.3856  0.7500  0.6781  1
  Si  Si2  2  0.1295  0.2500  0.4663  1
  Si  Si3  2  0.3770  0.2500  0.9597  1
]