data_ErNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErNi5
_chemical_formula_sum   'Er1 Ni5'
_cell_volume   80.14
_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  Er5  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.79  0.1  0.98  1.0
  Ni  Ni1  1  0.0  0.79  0.0  1.0
  Ni  Ni2  1  0.42  0.4  0.0  1.0
  Ni  Ni3  1  0.42  0.0  0.98  1.0
  Ni  Ni4  1  0.21  0.1  0.98  1.0

data_ErNi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErNi5
_chemical_formula_sum   'Er1 Ni5'
_cell_volume   80.14
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.79  1.0
  Ni  Ni2  1  0.0  0.42  0.4  1.0
  Ni  Ni3  1  0.98  0.21  0.1  1.0
  Ni  Ni4  1  0.98  0.42  0.0  1.0
  Ni  Ni5  1  0.98  0.79  0.1  1.0

Er Ni Ni Ni Ni Ni