data_MnGaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   18.17
_cell_angle_beta   18.17
_cell_angle_gamma   18.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaRe2
_chemical_formula_sum   'Mn1 Ga1 Re2'
_cell_volume   59.31
_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  0.0  0.64  1.0
  Ga  Ga0  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.0  0.0  0.14  1.0
  Re  Re3  1  0.0  0.0  0.58  1.0

data_MnGaRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGaRe2
_chemical_formula_sum   'Mn2 Ga2 Re4'
_cell_volume   118.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.36  1.0
  Ga  Ga1  2  0.0  0.0  0.93  1.0
  Re  Re2  2  0.0  0.0  0.42  1.0
  Re  Re3  2  0.0  0.0  0.86  1.0

Mn Ga Re Re
Mn Ga Re Re 0 3 o o o 1 2 o o o 