# generated using pymatgen
data_Sr3Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43814759
_cell_length_b   8.43814814
_cell_length_c   6.89077743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ca
_chemical_formula_sum   'Sr6 Ca2'
_cell_volume   424.90614000
_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
  Sr  Sr0  1  0.16854514  0.33708928  0.25000000  1.0
  Sr  Sr1  1  0.66291072  0.83145486  0.25000000  1.0
  Sr  Sr2  1  0.16854414  0.83145586  0.25000000  1.0
  Sr  Sr3  1  0.83145486  0.66291072  0.75000000  1.0
  Sr  Sr4  1  0.33708928  0.16854514  0.75000000  1.0
  Sr  Sr5  1  0.83145586  0.16854414  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