data_[Te1Mo3]
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 [Pmm2]
_cell_length_a [3.1948]
_cell_length_b [4.7956]
_cell_length_c [4.5118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TeMo3]
_chemical_formula_sum '[Te1 Mo3]'
_cell_volume [69.1246]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.3453  1
  Mo  Mo1  1  0.0000  0.0000  0.9906  1
  Mo  Mo2  1  0.5000  0.0000  0.5063  1
  Mo  Mo3  1  0.5000  0.5000  0.8244  1
]