data_[Si2Te1Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.2985]
_cell_length_b [4.4313]
_cell_length_c [4.8304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Si2TeMo]
_chemical_formula_sum '[Si2 Te1 Mo1]'
_cell_volume [70.6040]
_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
[
  Si  Si0  1  0.0000  0.0000  0.0000  1
  Si  Si1  1  0.5000  0.0000  0.5000  1
  Te  Te2  1  0.5000  0.5000  0.0000  1
  Mo  Mo3  1  0.0000  0.5000  0.5000  1
]