data_[Cs4Mn4Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.5670]
_cell_length_b [3.9601]
_cell_length_c [10.3327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsMnNiTe3]
_chemical_formula_sum '[Cs4 Mn4 Ni4 Te12]'
_cell_volume [718.8139]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.2379  0.2500  0.4597  1
  Mn  Mn1  4  0.0150  0.2500  0.1757  1
  Ni  Ni2  4  0.0099  0.7500  0.4039  1
  Te  Te3  4  0.0734  0.2500  0.9287  1
  Te  Te4  4  0.0784  0.7500  0.6215  1
  Te  Te5  4  0.1137  0.7500  0.2362  1
]