data_[Mg4V2Ga2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.4872]
_cell_length_b [5.7578]
_cell_length_c [5.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mg2VGaN4]
_chemical_formula_sum '[Mg4 V2 Ga2 N8]'
_cell_volume [194.5248]
_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
[
  Mg  Mg0  4  0.2496  0.6717  0.9923  1.0
  V  V1  2  0.0000  0.1648  0.9993  1.0
  Ga  Ga2  2  0.0000  0.8404  0.4971  1.0
  N  N3  4  0.2394  0.3174  0.8999  1.0
  N  N4  2  0.0000  0.1503  0.3447  1.0
  N  N5  2  0.0000  0.8712  0.8746  1.0
]