data_KEr3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   8.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KEr3F10
_chemical_formula_sum   'K2 Er6 F20'
_cell_volume   385.86
_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  1  0.89  0.89  0.89  1.0
  K  K1  1  0.67  0.67  0.67  1.0
  Er  Er2  1  0.78  0.56  0.78  1.0
  Er  Er3  1  0.56  0.78  0.78  1.0
  Er  Er4  1  1.0  0.78  0.78  1.0
  Er  Er5  1  0.78  0.78  0.56  1.0
  Er  Er6  1  0.78  1.0  0.78  1.0
  Er  Er7  1  0.78  0.78  1.0  1.0
  F  F8  1  0.87  0.91  0.78  1.0
  F  F9  1  0.78  0.91  0.87  1.0
  F  F10  1  0.87  0.78  0.91  1.0
  F  F11  1  0.87  0.0  0.87  1.0
  F  F12  1  0.0  0.91  0.91  1.0
  F  F13  1  0.91  0.78  0.87  1.0
  F  F14  1  0.91  0.0  0.91  1.0
  F  F15  1  0.87  0.87  0.0  1.0
  F  F16  1  0.07  0.49  0.07  1.0
  F  F17  1  0.49  0.49  0.07  1.0
  F  F18  1  0.07  0.49  0.49  1.0
  F  F19  1  0.07  0.07  0.07  1.0
  F  F20  1  0.49  0.07  0.07  1.0
  F  F21  1  0.49  0.49  0.49  1.0
  F  F22  1  0.07  0.07  0.49  1.0
  F  F23  1  0.49  0.07  0.49  1.0
  F  F24  1  0.91  0.87  0.78  1.0
  F  F25  1  0.78  0.87  0.91  1.0
  F  F26  1  0.0  0.87  0.87  1.0
  F  F27  1  0.91  0.91  0.0  1.0

data_KEr3F10
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   20.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KEr3F10
_chemical_formula_sum   'K6 Er18 F60'
_cell_volume   1157.57
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.11  1.0
  K  K1  3  0.0  0.0  0.33  1.0
  Er  Er2  9  0.07  0.15  0.15  1.0
  Er  Er3  9  0.15  0.07  0.3  1.0
  F  F4  18  0.07  0.02  0.15  1.0
  F  F5  9  0.03  0.06  0.06  1.0
  F  F6  9  0.04  0.09  0.09  1.0
  F  F7  9  0.05  0.53  0.46  1.0
  F  F8  9  0.19  0.39  0.32  1.0
  F  F9  3  0.0  0.0  0.51  1.0
  F  F10  3  0.0  0.0  0.93  1.0

K K Er Er Er Er Er Er F F F F F F F F F F F F F F F F F F F F