data_[Zr8Mn8Cr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.1335]
_cell_length_b [5.0139]
_cell_length_c [8.7179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrMnCr]
_chemical_formula_sum '[Zr8 Mn8 Cr8]'
_cell_volume [355.5219]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  4  0.1903  0.0000  0.6665  1.0
  Zr  Zr1  4  0.3135  0.0000  0.3330  1.0
  Mn  Mn2  4  0.5000  0.2434  0.5850  1.0
  Mn  Mn3  2  0.0000  0.0000  0.1674  1.0
  Mn  Mn4  2  0.5000  0.0000  0.8289  1.0
  Cr  Cr5  4  0.0000  0.2493  0.4160  1.0
  Cr  Cr6  4  0.2599  0.0000  0.0005  1.0
]