data_[Ca2Tm2Tc2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0743]
_cell_length_b [3.3960]
_cell_length_c [9.0017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaTmTcN3]
_chemical_formula_sum '[Ca2 Tm2 Tc2 N6]'
_cell_volume [180.9668]
_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
[
  Ca  Ca0  2  0.3512  0.7500  0.3252  1
  Tm  Tm1  2  0.1377  0.7500  0.6411  1
  Tc  Tc2  2  0.3512  0.2500  0.9247  1
  N  N3  2  0.0669  0.2500  0.8166  1
  N  N4  2  0.2282  0.2500  0.4934  1
  N  N5  2  0.4948  0.7500  0.8413  1
]