data_Mn2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   7.97
_cell_angle_alpha   23.7
_cell_angle_beta   23.7
_cell_angle_gamma   23.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TeRh
_chemical_formula_sum   'Mn2 Te1 Rh1'
_cell_volume   71.71
_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  0.26  1.0
  Mn  Mn1  1  0.0  0.0  0.95  1.0
  Te  Te3  1  0.0  0.0  0.61  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Mn2TeRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   3.27
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   103.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2TeRh
_chemical_formula_sum   'Mn4 Te2 Rh2'
_cell_volume   143.43
_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  0.74  1.0
  Mn  Mn1  2  0.0  0.0  0.05  1.0
  Te  Te2  2  0.0  0.0  0.39  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Mn Mn Te Rh
Mn Mn Te Rh 0 3 o o o 0 1 o o - 0 2 o o o 1 3 o o + 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 