data_KEr2CuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   14.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   147.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KEr2CuSe4
_chemical_formula_sum   'K2 Er4 Cu2 Se8'
_cell_volume   409.1
_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  0.04  0.42  0.73  1.0
  K  K1  1  0.04  0.58  0.58  1.0
  Er  Er2  1  0.04  0.88  0.38  1.0
  Er  Er3  1  0.04  0.12  0.93  1.0
  Er  Er4  1  0.04  0.12  0.22  1.0
  Er  Er5  1  0.04  0.88  0.09  1.0
  Cu  Cu6  1  0.04  0.25  0.73  1.0
  Cu  Cu7  1  0.04  0.75  0.58  1.0
  Se  Se8  1  0.04  0.11  0.58  1.0
  Se  Se9  1  0.04  0.89  0.73  1.0
  Se  Se10  1  0.04  0.29  0.57  1.0
  Se  Se11  1  0.04  0.71  0.74  1.0
  Se  Se12  1  0.04  0.71  0.73  1.0
  Se  Se13  1  0.04  0.29  0.58  1.0
  Se  Se14  1  0.0  0.0  0.15  1.0
  Se  Se15  1  0.0  0.0  0.0  1.0

data_KEr2CuSe4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   7.29
_cell_length_c   14.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KEr2CuSe4
_chemical_formula_sum   'K2 Er4 Cu2 Se8'
_cell_volume   409.1
_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  0.42  0.46  0.58  1.0
  K  K1  1  0.58  0.63  0.73  1.0
  Er  Er2  1  0.12  0.17  0.09  1.0
  Er  Er3  1  0.12  0.17  0.38  1.0
  Er  Er4  1  0.88  0.92  0.22  1.0
  Er  Er5  1  0.88  0.92  0.93  1.0
  Cu  Cu6  1  0.25  0.3  0.58  1.0
  Cu  Cu7  1  0.75  0.79  0.73  1.0
  Se  Se8  1  0.0  0.0  0.0  1.0
  Se  Se9  1  0.0  0.0  0.15  1.0
  Se  Se10  1  0.11  0.15  0.73  1.0
  Se  Se11  1  0.29  0.33  0.73  1.0
  Se  Se12  1  0.29  0.33  0.74  1.0
  Se  Se13  1  0.71  0.75  0.57  1.0
  Se  Se14  1  0.71  0.75  0.58  1.0
  Se  Se15  1  0.89  0.94  0.58  1.0

K K Er Er Er Er Cu Cu Se Se Se Se Se Se Se Se