data_[Mn1Zn1Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9258]
_cell_length_b [2.9258]
_cell_length_c [5.9091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [MnZnCr2]
_chemical_formula_sum '[Mn1 Zn1 Cr2]'
_cell_volume [50.5828]
_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  0.0000  0.0000  0.4852  1.0
  Zn  Zn1  1  0.5000  0.5000  0.7481  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0202  1.0
  Cr  Cr3  1  0.5000  0.5000  0.2465  1.0
]