data_[Mn1Te6Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3125]
_cell_length_b [6.5731]
_cell_length_c [6.7760]
_cell_angle_alpha [77.3197]
_cell_angle_beta [73.9776]
_cell_angle_gamma [88.4292]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn(Te2Pd)3]
_chemical_formula_sum '[Mn1 Te6 Pd3]'
_cell_volume [263.4749]
_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  0.0000  1
  Te  Te1  2  0.0923  0.8423  0.6329  1
  Te  Te2  2  0.2401  0.6637  0.1038  1
  Te  Te3  2  0.3304  0.2718  0.7319  1
  Pd  Pd4  1  0.0000  0.5000  0.5000  1
  Pd  Pd5  1  0.5000  0.0000  0.0000  1
  Pd  Pd6  1  0.5000  0.0000  0.5000  1
]