data_[Er1Lu3Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Lu  1.2700  1.7500  1.0010
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3345]
_cell_length_b [4.0954]
_cell_length_c [6.9206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ErLu3Ni4]
_chemical_formula_sum '[Er1 Lu3 Ni4]'
_cell_volume [151.1954]
_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  1  0.6308  0.0000  0.6795  1
  Lu  Lu1  1  0.1309  0.5000  0.8207  1
  Lu  Lu2  1  0.3686  0.5000  0.3195  1
  Lu  Lu3  1  0.8692  0.0000  0.1798  1
  Ni  Ni4  1  0.1264  0.0000  0.5370  1
  Ni  Ni5  1  0.3733  0.0000  0.0384  1
  Ni  Ni6  1  0.6260  0.5000  0.9637  1
  Ni  Ni7  1  0.8748  0.5000  0.4614  1
]