# generated using pymatgen
data_Ca(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05032200
_cell_length_b   7.19114365
_cell_length_c   7.36951516
_cell_angle_alpha   75.17315059
_cell_angle_beta   68.58619607
_cell_angle_gamma   72.72225028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(BO4)2
_chemical_formula_sum   'Ca2 B4 O16'
_cell_volume   281.08533574
_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  0.18868400  0.26063400  0.78814700  1.0
  Ca  Ca1  1  0.81131600  0.73936600  0.21185300  1.0
  B  B2  1  0.81700600  0.00420900  0.76424400  1.0
  B  B3  1  0.18299400  0.99579100  0.23575600  1.0
  B  B4  1  0.39110000  0.43707300  0.25819800  1.0
  B  B5  1  0.60890000  0.56292700  0.74180200  1.0
  O  O6  1  0.60708600  0.08193900  0.70292200  1.0
  O  O7  1  0.39291400  0.91806100  0.29707800  1.0
  O  O8  1  0.77139300  0.05031700  0.95925400  1.0
  O  O9  1  0.22860700  0.94968300  0.04074600  1.0
  O  O10  1  0.02250300  0.08780700  0.64362100  1.0
  O  O11  1  0.97749700  0.91219300  0.35637900  1.0
  O  O12  1  0.09693200  0.20670800  0.18392700  1.0
  O  O13  1  0.90306800  0.79329200  0.81607300  1.0
  O  O14  1  0.49313800  0.22482600  0.28132400  1.0
  O  O15  1  0.50686200  0.77517400  0.71867600  1.0
  O  O16  1  0.40964600  0.46474800  0.82518200  1.0
  O  O17  1  0.59035400  0.53525200  0.17481800  1.0
  O  O18  1  0.28370000  0.45245600  0.46530100  1.0
  O  O19  1  0.71630000  0.54754400  0.53469900  1.0
  O  O20  1  0.20693700  0.51467500  0.16280800  1.0
  O  O21  1  0.79306300  0.48532500  0.83719200  1.0