data_[Pm1Tc1Ni2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.5779]
_cell_length_b [5.5779]
_cell_length_c [4.9323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PmTc(NiO3)2]
_chemical_formula_sum '[Pm1 Tc1 Ni2 O6]'
_cell_volume [153.4571]
_cell_formula_units_Z [1]
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
[
  Pm  Pm0  1  0.5000  0.5000  0.5784  1
  Tc  Tc1  1  0.0000  0.0000  0.6021  1
  Ni  Ni2  2  0.0000  0.5000  0.8960  1
  O  O3  4  0.2264  0.2264  0.7660  1
  O  O4  1  0.0000  0.0000  0.2585  1
  O  O5  1  0.5000  0.5000  0.1519  1
]