data_MnCr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   3.54
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Co
_chemical_formula_sum   'Mn1 Cr2 Co1'
_cell_volume   44.44
_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  Mn3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.24  0.77  0.78  1.0
  Cr  Cr2  1  0.24  0.77  0.27  1.0
  Co  Co0  1  0.0  0.0  0.53  1.0

data_MnCr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   3.54
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Co
_chemical_formula_sum   'Mn1 Cr2 Co1'
_cell_volume   44.44
_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
  Cr  Cr1  1  0.24  0.77  0.27  1.0
  Cr  Cr2  1  0.24  0.77  0.78  1.0
  Co  Co3  1  0.0  0.0  0.53  1.0

Mn Cr Cr Co
Mn Cr Cr Co 0 1 o - - 0 2 o - o 1 3 o + o 2 3 o + o 