data_ErZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErZnIn
_chemical_formula_sum   'Er2 Zn2 In2'
_cell_volume   134.54
_cell_formula_units_Z   2
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  0.57  1.0
  Er  Er1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.33  0.35  0.36  1.0
  Zn  Zn3  1  0.0  0.69  0.79  1.0
  In  In4  1  0.33  0.35  0.79  1.0
  In  In5  1  0.0  0.69  0.36  1.0

data_ErZnIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErZnIn
_chemical_formula_sum   'Er2 Zn2 In2'
_cell_volume   134.54
_cell_formula_units_Z   2
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
  Er  Er1  1  0.0  0.0  0.57  1.0
  Zn  Zn2  1  0.0  0.69  0.79  1.0
  Zn  Zn3  1  0.33  0.35  0.36  1.0
  In  In4  1  0.0  0.69  0.36  1.0
  In  In5  1  0.33  0.35  0.79  1.0

Er Er Zn Zn In In
Er Er Zn Zn In In 0 5 o - o 0 3 o - o 0 2 o o o 0 4 o o o 1 3 o - - 1 4 o o - 2 5 o - o 2 5 o o o 2 5 + o o 3 4 o + o 