data_[Nd7Er3In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0982]
_cell_length_b [7.0982]
_cell_length_c [8.6055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nd7Er3In]
_chemical_formula_sum '[Nd7 Er3 In1]'
_cell_volume [375.4924]
_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
[
  Nd  Nd0  3  0.1691  0.3381  0.8832  1
  Nd  Nd1  3  0.3380  0.1690  0.5488  1
  Nd  Nd2  1  0.6667  0.3333  0.8908  1
  Er  Er3  3  0.0000  0.5000  0.2198  1
  In  In4  1  0.3333  0.6667  0.5384  1
]