data_[Te4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3851]
_cell_length_b [3.4599]
_cell_length_c [36.4614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te2Mo]
_chemical_formula_sum '[Te4 Mo2]'
_cell_volume [805.4940]
_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
[
  Te  Te0  2  0.0702  0.7500  0.0406  1.0
  Te  Te1  2  0.4215  0.7500  0.9431  1.0
  Mo  Mo2  2  0.3189  0.2500  0.9974  1.0
]