data_[Mn3Cr1Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0096]
_cell_length_b [4.3157]
_cell_length_c [8.6243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Mn3CrRh4]
_chemical_formula_sum '[Mn3 Cr1 Rh4]'
_cell_volume [112.0178]
_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  2  0.5000  0.0000  0.2506  1
  Mn  Mn1  1  0.5000  0.5000  0.5000  1
  Cr  Cr2  1  0.5000  0.5000  0.0000  1
  Rh  Rh3  2  0.0000  0.5000  0.2463  1
  Rh  Rh4  1  0.0000  0.0000  0.0000  1
  Rh  Rh5  1  0.0000  0.0000  0.5000  1
]