# generated using pymatgen
data_Ca4Ni20H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89767401
_cell_length_b   9.89767401
_cell_length_c   3.88541300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.84374381
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Ni20H
_chemical_formula_sum   'Ca4 Ni20 H1'
_cell_volume   326.79736030
_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
  Ca  Ca0  1  0.75182900  0.75182900  0.00221000  1.0
  Ca  Ca1  1  0.25368600  0.74631400  0.00128800  1.0
  Ca  Ca2  1  0.24817100  0.24817100  0.00221000  1.0
  Ca  Ca3  1  0.74631400  0.25368600  0.00128800  1.0
  Ni  Ni4  1  0.58480500  0.91777400  0.00112400  1.0
  Ni  Ni5  1  0.08222600  0.41519500  0.00112400  1.0
  Ni  Ni6  1  0.09179400  0.90820600  0.99964700  1.0
  Ni  Ni7  1  0.58229800  0.41770200  0.00132700  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.50800100  1.0
  Ni  Ni9  1  0.50000000  0.00000000  0.50114500  1.0
  Ni  Ni10  1  0.50110400  0.74992500  0.50115100  1.0
  Ni  Ni11  1  0.99764000  0.25238200  0.50154700  1.0
  Ni  Ni12  1  0.00236000  0.74761800  0.50154700  1.0
  Ni  Ni13  1  0.49889600  0.25007500  0.50115100  1.0
  Ni  Ni14  1  0.90820600  0.09179400  0.99964700  1.0
  Ni  Ni15  1  0.41770200  0.58229800  0.00132700  1.0
  Ni  Ni16  1  0.41519500  0.08222600  0.00112400  1.0
  Ni  Ni17  1  0.91777400  0.58480500  0.00112400  1.0
  Ni  Ni18  1  0.50000000  0.50000000  0.50148100  1.0
  Ni  Ni19  1  0.00000000  0.50000000  0.50114500  1.0
  Ni  Ni20  1  0.74761800  0.00236000  0.50154700  1.0
  Ni  Ni21  1  0.25007500  0.49889600  0.50115100  1.0
  Ni  Ni22  1  0.25238200  0.99764000  0.50154700  1.0
  Ni  Ni23  1  0.74992500  0.50110400  0.50115100  1.0
  H  H24  1  0.00000000  0.00000000  0.08076600  1.0