# generated using pymatgen
data_LaCr3(NiH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91162213
_cell_length_b   5.91110237
_cell_length_c   4.30876262
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99900109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr3(NiH6)2
_chemical_formula_sum   'La1 Cr3 Ni2 H12'
_cell_volume   130.39553416
_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
  La  La0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr2  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.66665739  0.33335549  0.00000000  1.0
  Ni  Ni5  1  0.33334261  0.66664451  0.00000000  1.0
  H  H6  1  0.78726655  0.57453421  0.73699123  1.0
  H  H7  1  0.21273345  0.42546579  0.26300877  1.0
  H  H8  1  0.21274955  0.78723969  0.26299056  1.0
  H  H9  1  0.78725045  0.21276031  0.26299056  1.0
  H  H10  1  0.57449436  0.78724183  0.26301025  1.0
  H  H11  1  0.42550564  0.21275817  0.26301025  1.0
  H  H12  1  0.42550564  0.21275817  0.73698975  1.0
  H  H13  1  0.21273345  0.42546579  0.73699123  1.0
  H  H14  1  0.78725045  0.21276031  0.73700944  1.0
  H  H15  1  0.57449436  0.78724183  0.73698975  1.0
  H  H16  1  0.78726655  0.57453421  0.26300877  1.0
  H  H17  1  0.21274955  0.78723969  0.73700944  1.0