data_MnRe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.39
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   99.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Mo
_chemical_formula_sum   'Mn1 Re2 Mo1'
_cell_volume   58.85
_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  0.0  1.0
  Re  Re2  1  0.05  0.19  0.81  1.0
  Re  Re3  1  0.79  0.19  0.22  1.0
  Mo  Mo1  1  0.92  0.0  0.52  1.0

data_MnRe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.39
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   99.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Mo
_chemical_formula_sum   'Mn1 Re2 Mo1'
_cell_volume   58.85
_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  0.0  1.0
  Re  Re1  1  0.05  0.19  0.81  1.0
  Re  Re2  1  0.79  0.19  0.22  1.0
  Mo  Mo3  1  0.92  0.0  0.52  1.0

Mn Re Re Mo