data_[Er2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6547]
_cell_length_b [4.5188]
_cell_length_c [5.7599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErZn]
_chemical_formula_sum '[Er2 Zn2]'
_cell_volume [91.6157]
_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  2  0.3542  0.7500  0.6954  1.0
  Zn  Zn1  2  0.0647  0.7500  0.1427  1.0
]