data_[Er4Mg5Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8962]
_cell_length_b [3.4910]
_cell_length_c [9.9364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Mg5Zn2]
_chemical_formula_sum '[Er4 Mg5 Zn2]'
_cell_volume [273.4550]
_cell_formula_units_Z [1]
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  0.1612  0.5000  0.8663  1
  Er  Er1  2  0.2471  0.5000  0.4460  1
  Mg  Mg2  2  0.1894  0.0000  0.1597  1
  Mg  Mg3  2  0.4398  0.0000  0.6933  1
  Mg  Mg4  1  0.5000  0.0000  0.0000  1
  Zn  Zn5  2  0.0568  0.0000  0.6315  1
]