data_MnTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   5.06
_cell_angle_alpha   110.08
_cell_angle_beta   110.08
_cell_angle_gamma   34.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTe2As
_chemical_formula_sum   'Mn1 Te2 As1'
_cell_volume   103.43
_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  Mn1  1  0.25  0.0  0.62  1.0
  Te  Te2  1  0.89  0.0  0.3  1.0
  Te  Te3  1  0.79  0.0  0.55  1.0
  As  As0  1  0.07  0.0  0.62  1.0

data_MnTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.06
_cell_length_c   6.19
_cell_angle_alpha   110.08
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTe2As
_chemical_formula_sum   'Mn1 Te2 As1'
_cell_volume   103.43
_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  0.62  0.25  1.0
  Te  Te1  1  0.0  0.3  0.89  1.0
  Te  Te2  1  0.0  0.55  0.79  1.0
  As  As3  1  0.0  0.62  0.07  1.0

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