data_CuTe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   119.38
_cell_angle_beta   119.38
_cell_angle_gamma   91.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTe2Mo
_chemical_formula_sum   'Cu1 Te2 Mo1'
_cell_volume   77.72
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.41  0.67  1.0
  Te  Te3  1  0.41  0.0  0.67  1.0
  Mo  Mo1  1  0.0  0.0  0.34  1.0

data_CuTe2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.69
_cell_length_b   6.82
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   134.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuTe2Mo
_chemical_formula_sum   'Cu2 Te4 Mo2'
_cell_volume   155.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Te  Te1  4  0.29  0.29  0.33  1.0
  Mo  Mo2  2  0.0  0.0  0.66  1.0

Cu Te Te Mo