data_[K2Er2Cr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8009]
_cell_length_b [5.8543]
_cell_length_c [7.3894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KErCrO4]
_chemical_formula_sum '[K2 Er2 Cr2 O8]'
_cell_volume [238.0820]
_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
[
  K  K0  2  0.3024  0.2500  0.0654  1
  Er  Er1  2  0.1890  0.2500  0.5400  1
  Cr  Cr2  2  0.2694  0.7500  0.3369  1
  O  O3  4  0.0429  0.5236  0.3237  1
  O  O4  2  0.4660  0.7500  0.1958  1
  O  O5  2  0.4789  0.7500  0.5683  1
]