data_MnRe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.7
_cell_angle_alpha   100.87
_cell_angle_beta   100.87
_cell_angle_gamma   35.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Si
_chemical_formula_sum   'Mn1 Re2 Si1'
_cell_volume   55.03
_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  0.86  0.0  0.3  1.0
  Re  Re1  1  0.45  0.0  0.43  1.0
  Re  Re2  1  0.26  0.0  0.17  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_MnRe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.54
_cell_length_c   4.7
_cell_angle_alpha   100.87
_cell_angle_beta   90.0
_cell_angle_gamma   107.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Si
_chemical_formula_sum   'Mn1 Re2 Si1'
_cell_volume   55.03
_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  0.0  0.14  0.7  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.55  0.57  1.0
  Re  Re3  1  0.0  0.74  0.83  1.0

Mn Re Re Si
Mn Re Re Si 0 1 o o o 0 3 + o o 0 2 + o o 1 2 o o o 2 3 o o o 