data_[Er2Zr4Sc6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1980]
_cell_length_b [3.2588]
_cell_length_c [6.5238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErZr2Sc3N6]
_chemical_formula_sum '[Er2 Zr4 Sc6 N12]'
_cell_volume [294.0331]
_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  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr1  4  0.1670  0.0000  0.3348  1.0
  Sc  Sc2  4  0.1670  0.0000  0.8330  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0016  0.0000  0.2602  1.0
  N  N5  4  0.1670  0.5000  0.5842  1.0
  N  N6  4  0.1704  0.5000  0.0872  1.0
]