data_[Er4Zr6Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2992]
_cell_length_b [7.3068]
_cell_length_c [7.0937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er2Zr3Si4]
_chemical_formula_sum '[Er4 Zr6 Si8]'
_cell_volume [359.7024]
_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  0.1928  0.1730  0.0746  1
  Zr  Zr1  4  0.2514  0.6815  0.2490  1
  Zr  Zr2  2  0.5000  0.0000  0.5000  1
  Si  Si3  4  0.0810  0.5307  0.8702  1
  Si  Si4  4  0.4906  0.1224  0.8725  1
]