data_[Ba4Tm4V4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1571]
_cell_length_b [3.8279]
_cell_length_c [7.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTmVN3]
_chemical_formula_sum '[Ba4 Tm4 V4 N12]'
_cell_volume [371.7879]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.1434  0.5000  0.0773  1
  Tm  Tm1  4  0.1564  0.5000  0.5715  1
  V  V2  4  0.0008  0.0000  0.3166  1
  N  N3  4  0.0047  0.5000  0.3270  1
  N  N4  4  0.1452  0.0000  0.7862  1
  N  N5  4  0.1589  0.0000  0.3589  1
]