data_ErSiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   141.28
_cell_angle_beta   141.28
_cell_angle_gamma   55.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErSiNi3
_chemical_formula_sum   'Er1 Si1 Ni3'
_cell_volume   72.17
_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  0.12  1.0
  Si  Si1  1  0.0  0.0  0.83  1.0
  Ni  Ni2  1  0.0  0.89  0.56  1.0
  Ni  Ni3  1  0.89  0.0  0.56  1.0
  Ni  Ni4  1  0.0  0.0  0.07  1.0

data_ErSiNi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   117.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ErSiNi3
_chemical_formula_sum   'Er2 Si2 Ni6'
_cell_volume   144.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.12  0.0  0.12  1.0
  Si  Si1  2  0.33  0.5  0.83  1.0
  Ni  Ni2  4  0.11  0.45  0.66  1.0
  Ni  Ni3  2  0.07  0.0  0.07  1.0

Er Si Ni Ni Ni