# generated using pymatgen
data_Na3Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61984004
_cell_length_b   7.61984004
_cell_length_c   6.17582720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000433
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Ca
_chemical_formula_sum   'Na6 Ca2'
_cell_volume   310.53993478
_cell_formula_units_Z   2
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
  Na  Na0  1  0.16260372  0.32520844  0.25000000  1.0
  Na  Na1  1  0.67479156  0.83739628  0.25000000  1.0
  Na  Na2  1  0.16260372  0.83739628  0.25000000  1.0
  Na  Na3  1  0.83739628  0.67479156  0.75000000  1.0
  Na  Na4  1  0.32520844  0.16260372  0.75000000  1.0
  Na  Na5  1  0.83739628  0.16260372  0.75000000  1.0
  Ca  Ca6  1  0.33333300  0.66666700  0.75000000  1.0
  Ca  Ca7  1  0.66666700  0.33333300  0.25000000  1.0