data_MnTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   151.88
_cell_angle_beta   122.82
_cell_angle_gamma   64.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTeCl2
_chemical_formula_sum   'Mn1 Te1 Cl2'
_cell_volume   107.2
_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  Mn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.48  1.0
  Cl  Cl0  1  0.58  0.0  0.79  1.0
  Cl  Cl1  1  0.0  0.11  0.69  1.0

data_MnTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   6.21
_cell_length_c   6.49
_cell_angle_alpha   118.59
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTeCl2
_chemical_formula_sum   'Mn1 Te1 Cl2'
_cell_volume   107.2
_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  0.48  0.48  1.0
  Cl  Cl2  1  0.0  0.79  0.21  1.0
  Cl  Cl3  1  0.89  0.58  0.58  1.0

Mn Te Cl Cl
Mn Te Cl Cl 0 3 o o - 0 2 - o - 1 3 o o o 