# generated using pymatgen
data_LiCa3As2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28336000
_cell_length_b   11.48061500
_cell_length_c   11.87829200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa3As2H
_chemical_formula_sum   'Li4 Ca12 As8 H4'
_cell_volume   584.12222001
_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  0.13199300  0.86143800  1
  Li  Li1  1  0.25000000  0.63199300  0.63856200  1
  Li  Li2  1  0.75000000  0.86800700  0.13856200  1
  Li  Li3  1  0.75000000  0.36800700  0.36143800  1
  Ca  Ca4  1  0.25000000  0.06008600  0.62158900  1
  Ca  Ca5  1  0.25000000  0.56008600  0.87841100  1
  Ca  Ca6  1  0.75000000  0.93991400  0.37841100  1
  Ca  Ca7  1  0.75000000  0.43991400  0.12158900  1
  Ca  Ca8  1  0.25000000  0.36474500  0.56113300  1
  Ca  Ca9  1  0.25000000  0.86474500  0.93886700  1
  Ca  Ca10  1  0.75000000  0.63525500  0.43886700  1
  Ca  Ca11  1  0.75000000  0.13525500  0.06113300  1
  Ca  Ca12  1  0.25000000  0.20962500  0.29602600  1
  Ca  Ca13  1  0.25000000  0.70962500  0.20397400  1
  Ca  Ca14  1  0.75000000  0.79037500  0.70397400  1
  Ca  Ca15  1  0.75000000  0.29037500  0.79602600  1
  As  As16  1  0.25000000  0.48151500  0.32441700  1
  As  As17  1  0.25000000  0.98151500  0.17558300  1
  As  As18  1  0.75000000  0.51848500  0.67558300  1
  As  As19  1  0.75000000  0.01848500  0.82441700  1
  As  As20  1  0.25000000  0.31607100  0.98598000  1
  As  As21  1  0.25000000  0.81607100  0.51402000  1
  As  As22  1  0.75000000  0.68392900  0.01402000  1
  As  As23  1  0.75000000  0.18392900  0.48598000  1
  H  H24  1  0.25000000  0.23619200  0.72022100  1
  H  H25  1  0.25000000  0.73619200  0.77977900  1
  H  H26  1  0.75000000  0.76380800  0.27977900  1
  H  H27  1  0.75000000  0.26380800  0.22022100  1
