data_Mn2ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ReTe
_chemical_formula_sum   'Mn2 Re1 Te1'
_cell_volume   57.99
_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  0.09  0.0  0.4  1.0
  Mn  Mn1  1  0.0  0.0  0.89  1.0
  Re  Re2  1  0.09  0.0  0.49  1.0
  Te  Te3  1  0.0  0.0  0.44  1.0

data_Mn2ReTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2ReTe
_chemical_formula_sum   'Mn2 Re1 Te1'
_cell_volume   58.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.89  1.0
  Mn  Mn1  1  0.09  0.0  0.4  1.0
  Re  Re2  1  0.09  0.0  0.49  1.0
  Te  Te3  1  0.0  0.0  0.44  1.0

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