data_[Er1Pa1Cr1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.3302]
_cell_length_b [5.3302]
_cell_length_c [4.7917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [ErPaCrO6]
_chemical_formula_sum '[Er1 Pa1 Cr1 O6]'
_cell_volume [117.8971]
_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
[
  Er  Er0  1  0.6667  0.3333  0.5000  1
  Pa  Pa1  1  0.3333  0.6667  0.0000  1
  Cr  Cr2  1  0.0000  0.0000  0.5000  1
  O  O3  6  0.0151  0.3114  0.7336  1
]