# generated using pymatgen
data_Li4CaNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00787200
_cell_length_b   9.27622800
_cell_length_c   18.01066500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CaNiO4
_chemical_formula_sum   'Li32 Ca8 Ni8 O32'
_cell_volume   836.67035805
_cell_formula_units_Z   8
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  0.68880700  0.85331800  0.41101300  1
  Li  Li1  1  0.81119300  0.85331800  0.91101300  1
  Li  Li2  1  0.57578600  0.95570100  0.28669000  1
  Li  Li3  1  0.92421400  0.95570100  0.78669000  1
  Li  Li4  1  0.99646800  0.82508600  0.31898300  1
  Li  Li5  1  0.50353200  0.82508600  0.81898300  1
  Li  Li6  1  0.18929100  0.80665100  0.18738100  1
  Li  Li7  1  0.31070900  0.80665100  0.68738100  1
  Li  Li8  1  0.68929100  0.69334900  0.18738100  1
  Li  Li9  1  0.81070900  0.69334900  0.68738100  1
  Li  Li10  1  0.49646800  0.67491400  0.31898300  1
  Li  Li11  1  0.00353200  0.67491400  0.81898300  1
  Li  Li12  1  0.07578600  0.54429900  0.28669000  1
  Li  Li13  1  0.42421400  0.54429900  0.78669000  1
  Li  Li14  1  0.31119300  0.64668200  0.91101300  1
  Li  Li15  1  0.18880700  0.64668200  0.41101300  1
  Li  Li16  1  0.68880700  0.35331800  0.08898700  1
  Li  Li17  1  0.81119300  0.35331800  0.58898700  1
  Li  Li18  1  0.57578600  0.45570100  0.21331000  1
  Li  Li19  1  0.92421400  0.45570100  0.71331000  1
  Li  Li20  1  0.99646800  0.32508600  0.18101700  1
  Li  Li21  1  0.50353200  0.32508600  0.68101700  1
  Li  Li22  1  0.18929100  0.30665100  0.31261900  1
  Li  Li23  1  0.31070900  0.30665100  0.81261900  1
  Li  Li24  1  0.68929100  0.19334900  0.31261900  1
  Li  Li25  1  0.81070900  0.19334900  0.81261900  1
  Li  Li26  1  0.00353200  0.17491400  0.68101700  1
  Li  Li27  1  0.49646800  0.17491400  0.18101700  1
  Li  Li28  1  0.42421400  0.04429900  0.71331000  1
  Li  Li29  1  0.07578600  0.04429900  0.21331000  1
  Li  Li30  1  0.31119300  0.14668200  0.58898700  1
  Li  Li31  1  0.18880700  0.14668200  0.08898700  1
  Ca  Ca32  1  0.24117700  0.87671600  0.51523400  1
  Ca  Ca33  1  0.25882300  0.87671600  0.01523400  1
  Ca  Ca34  1  0.74117700  0.62328400  0.51523400  1
  Ca  Ca35  1  0.75882300  0.62328400  0.01523400  1
  Ca  Ca36  1  0.24117700  0.37671600  0.98476600  1
  Ca  Ca37  1  0.25882300  0.37671600  0.48476600  1
  Ca  Ca38  1  0.74117700  0.12328400  0.98476600  1
  Ca  Ca39  1  0.75882300  0.12328400  0.48476600  1
  Ni  Ni40  1  0.71838600  0.95094600  0.12474500  1
  Ni  Ni41  1  0.78161400  0.95094600  0.62474500  1
  Ni  Ni42  1  0.21838600  0.54905400  0.12474500  1
  Ni  Ni43  1  0.28161400  0.54905400  0.62474500  1
  Ni  Ni44  1  0.71838600  0.45094600  0.37525500  1
  Ni  Ni45  1  0.78161400  0.45094600  0.87525500  1
  Ni  Ni46  1  0.21838600  0.04905400  0.37525500  1
  Ni  Ni47  1  0.28161400  0.04905400  0.87525500  1
  O  O48  1  0.32392100  0.96681200  0.13281000  1
  O  O49  1  0.17607900  0.96681200  0.63281000  1
  O  O50  1  0.75843800  0.87610200  0.01949300  1
  O  O51  1  0.74156200  0.87610200  0.51949300  1
  O  O52  1  0.84514900  0.86815800  0.22088800  1
  O  O53  1  0.65485100  0.86815800  0.72088800  1
  O  O54  1  0.33058700  0.84111100  0.37405900  1
  O  O55  1  0.16941300  0.84111100  0.87405900  1
  O  O56  1  0.83058700  0.65888900  0.37405900  1
  O  O57  1  0.66941300  0.65888900  0.87405900  1
  O  O58  1  0.34514900  0.63184200  0.22088800  1
  O  O59  1  0.15485100  0.63184200  0.72088800  1
  O  O60  1  0.25843800  0.62389800  0.01949300  1
  O  O61  1  0.24156200  0.62389800  0.51949300  1
  O  O62  1  0.82392100  0.53318800  0.13281000  1
  O  O63  1  0.67607900  0.53318800  0.63281000  1
  O  O64  1  0.32392100  0.46681200  0.36719000  1
  O  O65  1  0.17607900  0.46681200  0.86719000  1
  O  O66  1  0.74156200  0.37610200  0.98050700  1
  O  O67  1  0.75843800  0.37610200  0.48050700  1
  O  O68  1  0.84514900  0.36815800  0.27911200  1
  O  O69  1  0.65485100  0.36815800  0.77911200  1
  O  O70  1  0.33058700  0.34111100  0.12594100  1
  O  O71  1  0.16941300  0.34111100  0.62594100  1
  O  O72  1  0.66941300  0.15888900  0.62594100  1
  O  O73  1  0.83058700  0.15888900  0.12594100  1
  O  O74  1  0.34514900  0.13184200  0.27911200  1
  O  O75  1  0.15485100  0.13184200  0.77911200  1
  O  O76  1  0.25843800  0.12389800  0.48050700  1
  O  O77  1  0.24156200  0.12389800  0.98050700  1
  O  O78  1  0.82392100  0.03318800  0.36719000  1
  O  O79  1  0.67607900  0.03318800  0.86719000  1
