data_[Sm2Mg4Ta2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.2772]
_cell_length_b [6.0703]
_cell_length_c [5.3746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SmMg2TaN4]
_chemical_formula_sum '[Sm2 Mg4 Ta2 N8]'
_cell_volume [237.4257]
_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
[
  Sm  Sm0  2  0.0000  0.8318  0.4767  1.0
  Mg  Mg1  4  0.2492  0.6663  0.9896  1.0
  Ta  Ta2  2  0.0000  0.1869  0.9960  1.0
  N  N3  4  0.2228  0.3365  0.8811  1.0
  N  N4  2  0.0000  0.1992  0.3586  1.0
  N  N5  2  0.0000  0.8646  0.9273  1.0
]