data_MgCrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrFe2
_chemical_formula_sum   'Mg1 Cr1 Fe2'
_cell_volume   53.83
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.7  0.0  0.0  1.0
  Fe  Fe1  1  0.35  0.1  0.31  1.0
  Fe  Fe2  1  0.35  0.9  0.31  1.0

data_MgCrFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   109.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrFe2
_chemical_formula_sum   'Mg1 Cr1 Fe2'
_cell_volume   53.83
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.7  0.0  1.0
  Fe  Fe2  1  0.31  0.35  0.1  1.0
  Fe  Fe3  1  0.31  0.35  0.9  1.0

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