data_Mn2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   134.54
_cell_angle_beta   130.46
_cell_angle_gamma   69.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TeOs
_chemical_formula_sum   'Mn2 Te1 Os1'
_cell_volume   63.54
_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  0.06  0.99  1.0
  Mn  Mn1  1  0.9  0.0  0.06  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.05  1.0

data_Mn2TeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.13
_cell_length_c   4.92
_cell_angle_alpha   114.77
_cell_angle_beta   112.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TeOs
_chemical_formula_sum   'Mn2 Te1 Os1'
_cell_volume   63.54
_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  0.01  0.08  0.08  1.0
  Mn  Mn1  1  0.84  0.94  0.84  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.95  0.95  0.95  1.0

Mn Mn Te Os
Mn Mn Te Os 0 2 o o + 1 3 + o o 2 3 o o o 