data_MnCrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   150.08
_cell_angle_beta   150.08
_cell_angle_gamma   42.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrMo
_chemical_formula_sum   'Mn1 Cr1 Mo1'
_cell_volume   38.68
_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  0.54  1.0
  Cr  Cr0  1  0.0  0.0  0.79  1.0
  Mo  Mo2  1  0.0  0.0  0.71  1.0

data_MnCrMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   111.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCrMo
_chemical_formula_sum   'Mn2 Cr2 Mo2'
_cell_volume   77.37
_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  0.04  0.5  0.54  1.0
  Cr  Cr1  2  0.29  0.5  0.79  1.0
  Mo  Mo2  2  0.21  0.5  0.71  1.0

Mn Cr Mo