data_MnCr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Mo
_chemical_formula_sum   'Mn1 Cr2 Mo1'
_cell_volume   50.2
_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  Mn2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.48  0.0  0.23  1.0
  Cr  Cr1  1  0.48  0.0  0.88  1.0
  Mo  Mo3  1  0.0  0.0  0.06  1.0

data_MnCr2Mo
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.56
_cell_length_b   8.12
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   109.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MnCr2Mo
_chemical_formula_sum   'Mn1 Cr2 Mo1'
_cell_volume   50.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cr  Cr1  1  0.5  0.12  0.0  1.0
  Cr  Cr2  1  0.5  0.77  0.0  1.0
  Mo  Mo3  1  0.0  0.94  0.0  1.0

Mn Cr Cr Mo