data_[Mn3In12Sn3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3332]
_cell_length_b [8.3332]
_cell_length_c [19.3787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnIn4SnSe8]
_chemical_formula_sum '[Mn3 In12 Sn3 Se24]'
_cell_volume [1165.4010]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.9985  1
  In  In1  9  0.1694  0.8306  0.8333  1
  In  In2  3  0.0000  0.0000  0.6185  1
  Sn  Sn3  3  0.0000  0.0000  0.3921  1
  Se  Se4  9  0.0502  0.5251  0.7473  1
  Se  Se5  9  0.1826  0.3651  0.5811  1
  Se  Se6  3  0.0000  0.0000  0.2485  1
  Se  Se7  3  0.0000  0.0000  0.7574  1
]