# generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66028623
_cell_length_b   6.23236203
_cell_length_c   6.23236468
_cell_angle_alpha   73.47219737
_cell_angle_beta   57.70601664
_cell_angle_gamma   57.70595225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca
_chemical_formula_sum   Ca4
_cell_volume   184.85785069
_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  0.17084418  0.15874759  0.49957835  1.0
  Ca  Ca1  1  0.82915582  0.84125241  0.50042165  1.0
  Ca  Ca2  1  0.32915582  0.50042165  0.84125041  1.0
  Ca  Ca3  1  0.67084418  0.49957835  0.15874959  1.0