data_[Ce1Dy2Ta1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8521]
_cell_length_b [3.3674]
_cell_length_c [5.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeDy2TaN4]
_chemical_formula_sum '[Ce1 Dy2 Ta1 N4]'
_cell_volume [110.0724]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.5000  1.0
  Dy  Dy1  1  0.5000  0.0000  0.5000  1.0
  Dy  Dy2  1  0.5000  0.5000  0.0000  1.0
  Ta  Ta3  1  0.0000  0.0000  0.0000  1.0
  N  N4  2  0.2253  0.5000  0.2239  1.0
  N  N5  2  0.2367  0.0000  0.7708  1.0
]