data_[Zr4Cr2In4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5632]
_cell_length_b [11.3691]
_cell_length_c [8.1502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Cr(InSe3)2]
_chemical_formula_sum '[Zr4 Cr2 In4 Se12]'
_cell_volume [583.7410]
_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
[
  Zr  Zr0  4  0.0000  0.3305  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.0000  0.1733  0.0000  1.0
  Se  Se3  8  0.2340  0.1603  0.7021  1.0
  Se  Se4  4  0.2495  0.0000  0.3029  1.0
]