data_MnRe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   147.62
_cell_angle_beta   129.11
_cell_angle_gamma   61.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Cl
_chemical_formula_sum   'Mn1 Re2 Cl1'
_cell_volume   53.56
_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
  Mn  Mn1  1  0.0  0.18  0.96  1.0
  Re  Re2  1  0.0  0.0  0.65  1.0
  Re  Re3  1  0.41  0.0  0.34  1.0
  Cl  Cl0  1  0.0  0.0  0.46  1.0

data_MnRe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.35
_cell_length_c   5.07
_cell_angle_alpha   115.45
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Cl
_chemical_formula_sum   'Mn1 Re2 Cl1'
_cell_volume   53.56
_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
  Mn  Mn0  1  0.82  0.78  0.78  1.0
  Re  Re1  1  0.0  0.34  0.93  1.0
  Re  Re2  1  0.0  0.65  0.65  1.0
  Cl  Cl3  1  0.0  0.46  0.46  1.0

Mn Re Re Cl