data_[Tm2Zr2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5676]
_cell_length_b [4.1222]
_cell_length_c [10.3606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmZrTe3]
_chemical_formula_sum '[Tm2 Zr2 Te6]'
_cell_volume [312.9000]
_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
[
  Tm  Tm0  2  0.2717  0.2500  0.0089  1
  Zr  Zr1  2  0.1200  0.2500  0.6380  1
  Te  Te2  2  0.0225  0.7500  0.8270  1
  Te  Te3  2  0.2604  0.7500  0.4959  1
  Te  Te4  2  0.4926  0.7500  0.1869  1
]