# generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19297492
_cell_length_b   4.89070492
_cell_length_c   4.20346362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca
_chemical_formula_sum   Ca2
_cell_volume   86.19875998
_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
  Ca  Ca0  1  0.74996622  0.25000200  0.38519900  1.0
  Ca  Ca1  1  0.25003578  0.75000100  0.88519900  1.0