data_[Tc2Ni2P4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.2910]
_cell_length_b [2.8693]
_cell_length_c [16.9154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TcNiP2Se]
_chemical_formula_sum '[Tc2 Ni2 P4 Se2]'
_cell_volume [159.7307]
_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
[
  Tc  Tc0  2  0.5000  0.0000  0.0649  1
  Ni  Ni1  2  0.0000  0.0000  0.9166  1
  P  P2  2  0.0000  0.0000  0.6267  1
  P  P3  2  0.5000  0.0000  0.4496  1
  Se  Se4  2  0.0000  0.0000  0.7704  1
]