# generated using pymatgen
data_LiTiPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88124938
_cell_length_b   7.10549772
_cell_length_c   7.85744896
_cell_angle_alpha   90.63260509
_cell_angle_beta   91.40890216
_cell_angle_gamma   116.91081410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiPO5
_chemical_formula_sum   'Li4 Ti4 P4 O20'
_cell_volume   342.37526859
_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
  Li  Li0  1  0.68983350  0.18964125  0.56290754  1
  Li  Li1  1  0.31016650  0.81035875  0.43709246  1
  Li  Li2  1  0.78801508  0.71006732  0.93724743  1
  Li  Li3  1  0.21198492  0.28993268  0.06275257  1
  Ti  Ti4  1  0.75318521  0.98640613  0.23891088  1
  Ti  Ti5  1  0.75430861  0.48770595  0.26043612  1
  Ti  Ti6  1  0.24681479  0.01359387  0.76108912  1
  Ti  Ti7  1  0.24569139  0.51229505  0.73956488  1
  P  P8  1  0.27012197  0.23944202  0.40470921  1
  P  P9  1  0.76973311  0.24743678  0.90453070  1
  P  P10  1  0.72987803  0.76055798  0.59529079  1
  P  P11  1  0.23026689  0.75256322  0.09546930  1
  O  O12  1  0.55348601  0.08965911  0.82078387  1
  O  O13  1  0.27069781  0.26130066  0.83025762  1
  O  O14  1  0.76774594  0.25757453  0.32969410  1
  O  O15  1  0.23225406  0.74242547  0.67030590  1
  O  O16  1  0.64566367  0.88541354  0.48105681  1
  O  O17  1  0.35433633  0.11458646  0.51894319  1
  O  O18  1  0.75733015  0.59279673  0.48989182  1
  O  O19  1  0.72930219  0.73869834  0.16974238  1
  O  O20  1  0.13886130  0.86807021  0.97899195  1
  O  O21  1  0.42420497  0.34389822  0.25944434  1
  O  O22  1  0.25314286  0.57979055  0.99169958  1
  O  O23  1  0.57579503  0.65610178  0.74055566  1
  O  O24  1  0.91947752  0.34375697  0.75518981  1
  O  O25  1  0.86113870  0.13193079  0.02100805  1
  O  O26  1  0.94518234  0.91269267  0.68241826  1
  O  O27  1  0.05481766  0.08730733  0.31758174  1
  O  O28  1  0.24266985  0.40720327  0.51010818  1
  O  O29  1  0.08052248  0.65624303  0.24481019  1
  O  O30  1  0.74685714  0.42020945  0.00830042  1
  O  O31  1  0.44651399  0.91034089  0.17921613  1
