# generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56137800
_cell_length_b   4.56137800
_cell_length_c   16.03135200
_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   Ca8
_cell_volume   333.55102316
_cell_formula_units_Z   8
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  0.00713000  0.48339300  0.68758700  1.0
  Ca  Ca1  1  0.99287000  0.51660700  0.18758700  1.0
  Ca  Ca2  1  0.98339300  0.49287000  0.43758700  1.0
  Ca  Ca3  1  0.01660700  0.50713000  0.93758700  1.0
  Ca  Ca4  1  0.51660700  0.99287000  0.81241300  1.0
  Ca  Ca5  1  0.48339300  0.00713000  0.31241300  1.0
  Ca  Ca6  1  0.49287000  0.98339300  0.56241300  1.0
  Ca  Ca7  1  0.50713000  0.01660700  0.06241300  1.0