# generated using pymatgen
data_ZrTiMn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84230815
_cell_length_b   4.84230815
_cell_length_c   8.04265061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiMn4
_chemical_formula_sum   'Zr2 Ti2 Mn8'
_cell_volume   163.31823601
_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
  Zr  Zr0  1  0.66666700  0.33333300  0.56923700  1
  Zr  Zr1  1  0.33333300  0.66666700  0.43076300  1
  Ti  Ti2  1  0.33333300  0.66666700  0.05889400  1
  Ti  Ti3  1  0.66666700  0.33333300  0.94110600  1
  Mn  Mn4  1  0.82876000  0.17124000  0.24069100  1
  Mn  Mn5  1  0.82876000  0.65751900  0.24069100  1
  Mn  Mn6  1  0.34248100  0.17124000  0.24069100  1
  Mn  Mn7  1  0.17124000  0.82876000  0.75930900  1
  Mn  Mn8  1  0.17124000  0.34248100  0.75930900  1
  Mn  Mn9  1  0.65751900  0.82876000  0.75930900  1
  Mn  Mn10  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn11  1  0.00000000  0.00000000  0.00000000  1
