data_[Zr2Te4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7091]
_cell_length_b [3.8012]
_cell_length_c [6.3616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrTe2Se]
_chemical_formula_sum '[Zr2 Te4 Se2]'
_cell_volume [229.5805]
_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  2  0.4759  0.0000  0.6149  1
  Te  Te1  2  0.0143  0.0000  0.9796  1
  Te  Te2  2  0.3286  0.5000  0.2782  1
  Se  Se3  2  0.1813  0.0000  0.6273  1
]