data_[Mn6V2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3543]
_cell_length_b [4.5130]
_cell_length_c [9.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn3VPd6]
_chemical_formula_sum '[Mn6 V2 Pd12]'
_cell_volume [300.3880]
_cell_formula_units_Z [2]
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  0.1869  0.7500  0.6245  1
  Mn  Mn1  2  0.1983  0.2500  0.9744  1
  Mn  Mn2  2  0.4151  0.2500  0.7691  1
  V  V3  2  0.3914  0.7500  0.4290  1
  Pd  Pd4  2  0.0037  0.2500  0.1699  1
  Pd  Pd5  2  0.0114  0.2500  0.6705  1
  Pd  Pd6  2  0.2024  0.7500  0.1350  1
  Pd  Pd7  2  0.2161  0.2500  0.4744  1
  Pd  Pd8  2  0.3951  0.7500  0.9258  1
  Pd  Pd9  2  0.4141  0.2500  0.2784  1
]