data_MnTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTeAs2
_chemical_formula_sum   'Mn1 Te1 As2'
_cell_volume   83.65
_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  0.96  0.0  0.0  1.0
  As  As0  1  0.48  0.07  0.83  1.0
  As  As1  1  0.48  0.93  0.83  1.0

data_MnTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   105.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTeAs2
_chemical_formula_sum   'Mn1 Te1 As2'
_cell_volume   83.65
_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  0.96  0.0  1.0
  As  As2  1  0.83  0.48  0.93  1.0
  As  As3  1  0.83  0.48  0.07  1.0

Mn Te As As