data_[Tm1Np1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Np  1.3600  1.7500  1.0000
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4121]
_cell_length_b [5.5356]
_cell_length_c [5.7405]
_cell_angle_alpha [62.2773]
_cell_angle_beta [89.7355]
_cell_angle_gamma [61.1828]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TmNpCr2O6]
_chemical_formula_sum '[Tm1 Np1 Cr2 O6]'
_cell_volume [127.9287]
_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
[
  Tm  Tm0  1  0.1886  0.6140  0.5721  1
  Np  Np1  1  0.6923  0.6121  0.0755  1
  Cr  Cr2  1  0.4832  0.0314  0.4546  1
  Cr  Cr3  1  0.9775  0.0451  0.9418  1
  O  O4  1  0.1179  0.1170  0.2434  1
  O  O5  1  0.2776  0.1193  0.7416  1
  O  O6  1  0.3871  0.4878  0.2656  1
  O  O7  1  0.5873  0.5620  0.7310  1
  O  O8  1  0.7653  0.8732  0.2443  1
  O  O9  1  0.8616  0.8614  0.7453  1
]