data_MnTe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   121.13
_cell_angle_beta   119.49
_cell_angle_gamma   89.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTe2Mo
_chemical_formula_sum   'Mn1 Te2 Mo1'
_cell_volume   70.2
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.34  0.67  1.0
  Te  Te3  1  0.28  0.0  0.63  1.0
  Mo  Mo1  1  0.0  0.0  0.29  1.0

data_MnTe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   60.51
_cell_angle_beta   60.57
_cell_angle_gamma   60.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTe2Mo
_chemical_formula_sum   'Mn1 Te2 Mo1'
_cell_volume   70.2
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.72  0.63  1.0
  Te  Te2  1  0.34  0.0  0.33  1.0
  Mo  Mo3  1  0.0  -0.0  0.29  1.0

Mn Te Te Mo
Mn Te Te Mo 0 3 o o o 1 3 o o o 2 3 o o o 