data_KMnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   154.46
_cell_angle_beta   129.8
_cell_angle_gamma   57.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnRe2
_chemical_formula_sum   'K1 Mn1 Re2'
_cell_volume   68.52
_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
  Mn  Mn1  1  0.0  0.0  0.2  1.0
  Re  Re2  1  0.0  0.51  0.16  1.0
  Re  Re3  1  0.31  0.0  0.04  1.0

data_KMnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.03
_cell_length_c   5.93
_cell_angle_alpha   115.1
_cell_angle_beta   102.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnRe2
_chemical_formula_sum   'K1 Mn1 Re2'
_cell_volume   68.52
_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
  Mn  Mn1  1  0.0  0.2  0.2  1.0
  Re  Re2  1  0.0  0.04  0.73  1.0
  Re  Re3  1  0.49  0.65  0.65  1.0

K Mn Re Re