data_[Pm1Be1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0450]
_cell_length_b [5.2617]
_cell_length_c [5.2746]
_cell_angle_alpha [92.7479]
_cell_angle_beta [115.8420]
_cell_angle_gamma [116.2468]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PmBeCr2O6]
_chemical_formula_sum '[Pm1 Be1 Cr2 O6]'
_cell_volume [107.8799]
_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  0.4382  0.2316  0.6914  1
  Be  Be1  1  0.2955  0.5695  0.0326  1
  Cr  Cr2  1  0.9781  0.5035  0.4440  1
  Cr  Cr3  1  0.9835  0.9817  0.9753  1
  O  O4  1  0.1585  0.7413  0.2044  1
  O  O5  1  0.4710  0.3504  0.1654  1
  O  O6  1  0.4755  0.6958  0.8133  1
  O  O7  1  0.9338  0.2871  0.7577  1
  O  O8  1  0.9589  0.1634  0.2671  1
  O  O9  1  0.9838  0.8141  0.6638  1
]