# generated using pymatgen
data_Ti(MnN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03310557
_cell_length_b   5.34025104
_cell_length_c   7.68461505
_cell_angle_alpha   78.89135649
_cell_angle_beta   73.50319988
_cell_angle_gamma   65.87836139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(MnN)4
_chemical_formula_sum   'Ti2 Mn8 N8'
_cell_volume   180.05755829
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.58515200  0.78070900  0.19675200  1
  Ti  Ti1  1  0.41484800  0.21929100  0.80324800  1
  Mn  Mn2  1  0.85790800  0.68831000  0.79435000  1
  Mn  Mn3  1  0.14209200  0.31169000  0.20565000  1
  Mn  Mn4  1  0.23848800  0.74150800  0.96707300  1
  Mn  Mn5  1  0.76151200  0.25849200  0.03292700  1
  Mn  Mn6  1  0.03841700  0.75579500  0.41824900  1
  Mn  Mn7  1  0.96158300  0.24420500  0.58175100  1
  Mn  Mn8  1  0.53751200  0.25836000  0.40668300  1
  Mn  Mn9  1  0.46248800  0.74164000  0.59331700  1
  N  N10  1  0.27351400  0.00527800  0.39948800  1
  N  N11  1  0.72648600  0.99472200  0.60051200  1
  N  N12  1  0.81582000  0.90813300  0.96785800  1
  N  N13  1  0.18418000  0.09186700  0.03214200  1
  N  N14  1  0.38414400  0.52654400  0.18983400  1
  N  N15  1  0.61585600  0.47345600  0.81016600  1
  N  N16  1  0.19998900  0.45805700  0.61323200  1
  N  N17  1  0.80001100  0.54194300  0.38676800  1
