data_MnReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   149.18
_cell_angle_beta   139.39
_cell_angle_gamma   51.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReSi2
_chemical_formula_sum   'Mn1 Re1 Si2'
_cell_volume   52.23
_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  0.0  0.63  1.0
  Re  Re1  1  0.0  0.87  0.04  1.0
  Si  Si2  1  0.0  0.0  0.27  1.0
  Si  Si3  1  0.43  0.0  0.77  1.0

data_MnReSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.75
_cell_length_c   5.4
_cell_angle_alpha   110.31
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReSi2
_chemical_formula_sum   'Mn1 Re1 Si2'
_cell_volume   52.23
_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  0.37  0.37  0.37  1.0
  Si  Si1  1  0.66  0.23  0.66  1.0
  Si  Si2  1  0.73  0.73  0.73  1.0
  Re  Re3  1  0.96  0.83  0.83  1.0

Mn Re Si Si