data_MnCrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.28
_cell_angle_alpha   99.52
_cell_angle_beta   99.52
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFe2
_chemical_formula_sum   'Mn1 Cr1 Fe2'
_cell_volume   42.8
_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  0.73  0.0  0.11  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.98  0.0  0.09  1.0
  Fe  Fe2  1  0.48  0.0  0.13  1.0

data_MnCrFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.47
_cell_length_b   4.28
_cell_length_c   4.29
_cell_angle_alpha   99.52
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFe2
_chemical_formula_sum   'Mn1 Cr1 Fe2'
_cell_volume   42.8
_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  0.11  0.73  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.09  0.98  1.0
  Fe  Fe3  1  0.0  0.13  0.48  1.0

Mn Cr Fe Fe
Mn Cr Fe Fe 0 3 o o o 0 2 o o o 1 2 - o o 