data_[Er4Re2Tc2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3341]
_cell_length_b [5.6159]
_cell_length_c [9.3742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er2ReTcN6]
_chemical_formula_sum '[Er4 Re2 Tc2 N12]'
_cell_volume [230.8269]
_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  4  0.2375  0.5696  0.7499  1
  Re  Re1  2  0.0000  0.0000  0.5000  1
  Tc  Tc2  2  0.5000  0.0000  0.0000  1
  N  N3  4  0.1453  0.6998  0.4526  1
  N  N4  4  0.2579  0.1971  0.4530  1
  N  N5  4  0.3399  0.5221  0.2487  1
]