data_[Pr4Er4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6777]
_cell_length_b [4.2799]
_cell_length_c [8.2410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrErSi]
_chemical_formula_sum '[Pr4 Er4 Si4]'
_cell_volume [326.1639]
_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
[
  Pr  Pr0  4  0.0851  0.0000  0.3575  1.0
  Er  Er1  4  0.1794  0.5000  0.0774  1.0
  Si  Si2  4  0.1220  0.5000  0.6636  1.0
]