# generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94255199
_cell_length_b   6.50911174
_cell_length_c   6.79098036
_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   Ca4
_cell_volume   174.27361120
_cell_formula_units_Z   4
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  0.99984755  0.75000000  0.16441340  1.0
  Ca  Ca1  1  0.50015245  0.75000000  0.66441340  1.0
  Ca  Ca2  1  0.00015245  0.25000000  0.83558660  1.0
  Ca  Ca3  1  0.49984755  0.25000000  0.33558660  1.0