data_[Ta3Mn6Cr3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4908]
_cell_length_b [6.4908]
_cell_length_c [17.3353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TaMn2CrSe6]
_chemical_formula_sum '[Ta3 Mn6 Cr3 Se18]'
_cell_volume [632.4904]
_cell_formula_units_Z [3]
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
[
  Ta  Ta0  3  0.0000  0.0000  0.6692  1.0
  Mn  Mn1  3  0.0000  0.0000  0.4968  1.0
  Mn  Mn2  3  0.0000  0.0000  0.9945  1.0
  Cr  Cr3  3  0.0000  0.0000  0.1742  1.0
  Se  Se4  9  0.0083  0.6676  0.2501  1.0
  Se  Se5  9  0.0159  0.3455  0.7523  1.0
]