data_KZr2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   8.52
_cell_angle_alpha   94.75
_cell_angle_beta   94.75
_cell_angle_gamma   46.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZr2Mn
_chemical_formula_sum   'K1 Zr2 Mn1'
_cell_volume   106.68
_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  0.0  1.0
  Zr  Zr2  1  0.67  0.0  0.99  1.0
  Zr  Zr3  1  0.23  0.0  0.49  1.0
  Mn  Mn1  1  0.45  0.0  0.24  1.0

data_KZr2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.17
_cell_length_c   8.52
_cell_angle_alpha   94.75
_cell_angle_beta   90.0
_cell_angle_gamma   113.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZr2Mn
_chemical_formula_sum   'K1 Zr2 Mn1'
_cell_volume   106.68
_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  0.0  1.0
  Zr  Zr1  1  0.0  0.33  0.01  1.0
  Zr  Zr2  1  0.0  0.77  0.51  1.0
  Mn  Mn3  1  0.0  0.55  0.76  1.0

K Zr Zr Mn