data_K2ZrMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   154.29
_cell_angle_beta   125.98
_cell_angle_gamma   60.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrMn
_chemical_formula_sum   'K2 Zr1 Mn1'
_cell_volume   132.47
_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
  K  K0  1  0.0  0.0  0.35  1.0
  K  K1  1  0.61  0.0  0.65  1.0
  Zr  Zr3  1  0.0  0.29  0.21  1.0
  Mn  Mn2  1  0.0  0.0  0.78  1.0

data_K2ZrMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   6.58
_cell_length_c   7.24
_cell_angle_alpha   117.01
_cell_angle_beta   102.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrMn
_chemical_formula_sum   'K2 Zr1 Mn1'
_cell_volume   132.47
_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
  K  K0  1  0.65  0.65  0.65  1.0
  K  K1  1  0.96  0.35  0.96  1.0
  Zr  Zr2  1  0.79  0.08  0.08  1.0
  Mn  Mn3  1  0.22  0.22  0.22  1.0

K K Zr Mn