data_[Ho1Zr2Ta1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  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 [5.6391]
_cell_length_b [3.2525]
_cell_length_c [5.6559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoZr2TaN4]
_chemical_formula_sum '[Ho1 Zr2 Ta1 N4]'
_cell_volume [98.0080]
_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
[
  Ho  Ho0  1  0.0000  0.5000  0.5000  1.0
  Zr  Zr1  1  0.5000  0.0000  0.5000  1.0
  Zr  Zr2  1  0.5000  0.5000  0.0000  1.0
  Ta  Ta3  1  0.0000  0.0000  0.0000  1.0
  N  N4  2  0.2405  0.5000  0.2340  1.0
  N  N5  2  0.2518  0.0000  0.7647  1.0
]