data_Mn2Te3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65
_cell_length_b   3.88
_cell_length_c   20.84
_cell_angle_alpha   90.0
_cell_angle_beta   100.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Te3P
_chemical_formula_sum   'Mn8 Te12 P4'
_cell_volume   687.71
_cell_formula_units_Z   4
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  0.37  0.94  0.36  1.0
  Mn  Mn1  1  0.46  0.0  0.79  1.0
  Mn  Mn2  1  0.54  0.0  0.14  1.0
  Mn  Mn3  1  0.3  0.94  0.68  1.0
  Mn  Mn4  1  0.59  0.94  0.6  1.0
  Mn  Mn5  1  0.01  0.0  0.21  1.0
  Mn  Mn6  1  0.13  0.0  0.84  1.0
  Mn  Mn7  1  0.75  0.94  0.32  1.0
  Te  Te12  1  0.26  0.94  0.79  1.0
  Te  Te13  1  0.96  0.0  0.05  1.0
  Te  Te14  1  0.5  0.0  0.67  1.0
  Te  Te15  1  0.77  0.94  0.44  1.0
  Te  Te16  1  0.42  0.94  0.47  1.0
  Te  Te17  1  0.14  0.0  0.42  1.0
  Te  Te18  1  0.38  0.0  0.11  1.0
  Te  Te19  1  0.56  0.94  0.02  1.0
  Te  Te20  1  0.69  0.94  0.07  1.0
  Te  Te21  1  0.55  0.0  0.55  1.0
  Te  Te22  1  0.06  0.0  0.39  1.0
  Te  Te23  1  0.2  0.94  0.97  1.0
  P  P8  1  0.8  0.94  0.65  1.0
  P  P9  1  0.65  0.0  0.9  1.0
  P  P10  1  0.06  0.0  0.76  1.0
  P  P11  1  0.07  0.94  0.53  1.0

data_Mn2Te3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   8.65
_cell_length_c   20.84
_cell_angle_alpha   100.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Te3P
_chemical_formula_sum   'Mn8 Te12 P4'
_cell_volume   687.71
_cell_formula_units_Z   4
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  0.46  0.86  1.0
  Mn  Mn1  1  0.0  0.54  0.21  1.0
  Mn  Mn2  1  0.0  0.87  0.16  1.0
  Mn  Mn3  1  0.0  0.99  0.79  1.0
  Mn  Mn4  1  0.06  0.25  0.68  1.0
  Mn  Mn5  1  0.06  0.41  0.4  1.0
  Mn  Mn6  1  0.06  0.63  0.64  1.0
  Mn  Mn7  1  0.06  0.7  0.32  1.0
  Te  Te8  1  0.0  0.04  0.95  1.0
  Te  Te9  1  0.0  0.45  0.45  1.0
  Te  Te10  1  0.0  0.5  0.33  1.0
  Te  Te11  1  0.0  0.62  0.89  1.0
  Te  Te12  1  0.0  0.86  0.58  1.0
  Te  Te13  1  0.0  0.94  0.61  1.0
  Te  Te14  1  0.06  0.23  0.56  1.0
  Te  Te15  1  0.06  0.31  0.93  1.0
  Te  Te16  1  0.06  0.44  0.98  1.0
  Te  Te17  1  0.06  0.58  0.53  1.0
  Te  Te18  1  0.06  0.74  0.21  1.0
  Te  Te19  1  0.06  0.8  0.03  1.0
  P  P20  1  0.0  0.35  0.1  1.0
  P  P21  1  0.0  0.94  0.24  1.0
  P  P22  1  0.06  0.2  0.35  1.0
  P  P23  1  0.06  0.93  0.47  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Te Te Te Te Te Te Te Te Te Te Te Te P P P P
Mn Mn Mn Mn Mn Mn Mn Mn Te Te Te Te Te Te Te Te Te Te Te Te P P P P 0 13 o + o 0 12 o o o 0 5 o + o 1 8 o - o 1 21 o o o 2 14 o o o 2 5 + o o 3 10 o + o 4 17 o + o 4 10 o + o 4 20 o o o 5 16 - - o 5 7 - - o 5 9 - o o 5 5 o + o 5 14 o o o 5 18 o o o 5 13 o o o 6 22 o o o 6 8 o - o 6 19 o - o 7 18 + + o 7 11 o o o 8 22 o + o 9 16 o - o 9 19 + - - 11 17 o + o 11 12 o o o 11 18 + + o 11 23 + o o 12 17 o + o 13 18 o o o 13 23 o - o 14 19 o - - 15 16 o o o 15 19 o o - 15 21 o + - 18 23 o - o 