data_[Mn1Cr1Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.4544]
_cell_length_b [3.9868]
_cell_length_c [4.7520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnCrFe2]
_chemical_formula_sum '[Mn1 Cr1 Fe2]'
_cell_volume [45.7916]
_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  0.5140  0.0000  0.4984  1.0
  Cr  Cr1  1  0.7433  0.5000  0.2529  1.0
  Fe  Fe2  1  0.2447  0.5000  0.7524  1.0
  Fe  Fe3  1  0.9980  0.0000  0.9964  1.0
]