data_[Gd3Er1Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7550]
_cell_length_b [4.2299]
_cell_length_c [10.2096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Gd3ErNi4]
_chemical_formula_sum '[Gd3 Er1 Ni4]'
_cell_volume [162.1646]
_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
[
  Gd  Gd0  1  0.0000  0.0000  0.1426  1.0
  Gd  Gd1  1  0.0000  0.5000  0.8621  1.0
  Gd  Gd2  1  0.5000  0.0000  0.6359  1.0
  Er  Er3  1  0.5000  0.5000  0.3625  1.0
  Ni  Ni4  1  0.0000  0.0000  0.4266  1.0
  Ni  Ni5  1  0.0000  0.5000  0.5675  1.0
  Ni  Ni6  1  0.5000  0.0000  0.9288  1.0
  Ni  Ni7  1  0.5000  0.5000  0.0739  1.0
]