# generated using pymatgen
data_LiCaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17769967
_cell_length_b   7.05648407
_cell_length_c   7.77300828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaP
_chemical_formula_sum   'Li4 Ca4 P4'
_cell_volume   229.14728270
_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  0.25000000  0.64341952  0.56435458  1
  Li  Li1  1  0.75000000  0.35658048  0.43564542  1
  Li  Li2  1  0.75000000  0.85658048  0.06435458  1
  Li  Li3  1  0.25000000  0.14341952  0.93564542  1
  Ca  Ca4  1  0.25000000  0.51795187  0.19404842  1
  Ca  Ca5  1  0.75000000  0.48204813  0.80595158  1
  Ca  Ca6  1  0.75000000  0.98204813  0.69404842  1
  Ca  Ca7  1  0.25000000  0.01795187  0.30595158  1
  P  P8  1  0.25000000  0.76826062  0.89467063  1
  P  P9  1  0.75000000  0.23173938  0.10532937  1
  P  P10  1  0.75000000  0.73173938  0.39467063  1
  P  P11  1  0.25000000  0.26826062  0.60532937  1
