data_[Mg2Ta1Cr1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1558]
_cell_length_b [3.0135]
_cell_length_c [5.4011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg2TaCrN4]
_chemical_formula_sum '[Mg2 Ta1 Cr1 N4]'
_cell_volume [79.3872]
_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
[
  Mg  Mg0  1  0.0000  0.5000  0.5000  1.0
  Mg  Mg1  1  0.5000  0.0000  0.5000  1.0
  Ta  Ta2  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  1  0.5000  0.5000  0.0000  1.0
  N  N4  2  0.2469  0.5000  0.2388  1.0
  N  N5  2  0.2599  0.0000  0.7652  1.0
]