data_[Er1Tm1Ni2C2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4189]
_cell_length_b [3.4189]
_cell_length_c [7.2815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ErTmNi2(CN)2]
_chemical_formula_sum '[Er1 Tm1 Ni2 C2 N2]'
_cell_volume [85.1129]
_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  0.0000  0.0000  0.8278  1
  Tm  Tm1  1  0.5000  0.5000  0.1715  1
  Ni  Ni2  2  0.0000  0.5000  0.4995  1
  C  C3  1  0.0000  0.0000  0.3379  1
  C  C4  1  0.5000  0.5000  0.6628  1
  N  N5  1  0.0000  0.0000  0.1444  1
  N  N6  1  0.5000  0.5000  0.8565  1
]