# generated using pymatgen
data_Ti3MoAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51454453
_cell_length_b   3.51454453
_cell_length_c   12.93069400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3MoAs4
_chemical_formula_sum   'Ti3 Mo1 As4'
_cell_volume   138.32176540
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.25286300  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.74713700  1.0
  Mo  Mo3  1  0.00000000  0.00000000  0.00000000  1.0
  As  As4  1  0.33333300  0.66666700  0.87392300  1.0
  As  As5  1  0.33333300  0.66666700  0.37642700  1.0
  As  As6  1  0.66666700  0.33333300  0.12607700  1.0
  As  As7  1  0.66666700  0.33333300  0.62357300  1.0