data_[Tb2Zr2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.7943]
_cell_length_b [7.5616]
_cell_length_c [5.4917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TbZrSi2]
_chemical_formula_sum '[Tb2 Zr2 Si4]'
_cell_volume [157.5638]
_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
[
  Tb  Tb0  2  0.0000  0.0736  0.6212  1
  Zr  Zr1  2  0.0000  0.5653  0.8802  1
  Si  Si2  2  0.0000  0.2255  0.1341  1
  Si  Si3  2  0.0000  0.6975  0.3645  1
]