data_MnTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   8.3
_cell_angle_alpha   21.44
_cell_angle_beta   21.44
_cell_angle_gamma   21.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTeMo2
_chemical_formula_sum   'Mn1 Te1 Mo2'
_cell_volume   66.85
_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  Te3  1  0.0  0.0  0.16  1.0
  Mo  Mo1  1  0.0  0.0  0.98  1.0
  Mo  Mo2  1  0.0  0.0  0.33  1.0

data_MnTeMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTeMo2
_chemical_formula_sum   'Mn2 Te2 Mo4'
_cell_volume   133.7
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.84  1.0
  Mo  Mo2  2  0.0  0.0  0.02  1.0
  Mo  Mo3  2  0.0  0.0  0.67  1.0

Mn Te Mo Mo