data_MnBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.54
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   101.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBTe2
_chemical_formula_sum   'Mn1 B1 Te2'
_cell_volume   87.37
_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  0.38  0.77  0.41  1.0
  B  B0  1  0.48  0.0  0.24  1.0
  Te  Te2  1  0.56  0.0  0.83  1.0
  Te  Te3  1  0.46  0.77  0.03  1.0

data_MnBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.9
_cell_length_c   6.46
_cell_angle_alpha   101.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBTe2
_chemical_formula_sum   'Mn1 B1 Te2'
_cell_volume   87.37
_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  0.23  0.62  0.59  1.0
  B  B1  1  0.0  0.52  0.76  1.0
  Te  Te2  1  0.0  0.44  0.17  1.0
  Te  Te3  1  0.23  0.54  0.97  1.0

Mn B Te Te