# generated using pymatgen
data_CaCo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88528700
_cell_length_b   8.77516680
_cell_length_c   6.85831834
_cell_angle_alpha   77.36868219
_cell_angle_beta   60.02174349
_cell_angle_gamma   42.60957432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2(PO5)2
_chemical_formula_sum   'Ca2 Co4 P4 O20'
_cell_volume   337.41927128
_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  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co2  1  0.62500000  0.62500000  0.12500000  1.0
  Co  Co3  1  0.62500000  0.12500000  0.62500000  1.0
  Co  Co4  1  0.62500000  0.62500000  0.62500000  1.0
  Co  Co5  1  0.12500000  0.62500000  0.62500000  1.0
  P  P6  1  0.79191500  0.79191500  0.20808500  1.0
  P  P7  1  0.45808500  0.45808500  0.04191500  1.0
  P  P8  1  0.20808500  0.20808500  0.79191500  1.0
  P  P9  1  0.04191500  0.04191500  0.45808500  1.0
  O  O10  1  0.97322000  0.32730700  0.01336100  1.0
  O  O11  1  0.41284200  0.41284200  0.58715800  1.0
  O  O12  1  0.88985600  0.08139900  0.39259300  1.0
  O  O13  1  0.23663900  0.56388700  0.27678000  1.0
  O  O14  1  0.32730700  0.97322000  0.68611300  1.0
  O  O15  1  0.36014400  0.16860100  0.85740700  1.0
  O  O16  1  0.83715800  0.83715800  0.66284200  1.0
  O  O17  1  0.58715800  0.58715800  0.41284200  1.0
  O  O18  1  0.66284200  0.66284200  0.83715800  1.0
  O  O19  1  0.27678000  0.92269300  0.23663900  1.0
  O  O20  1  0.68611300  0.01336100  0.32730700  1.0
  O  O21  1  0.56388700  0.23663900  0.92269300  1.0
  O  O22  1  0.01336100  0.68611300  0.97322000  1.0
  O  O23  1  0.08139900  0.88985600  0.63615200  1.0
  O  O24  1  0.61384800  0.85740700  0.16860100  1.0
  O  O25  1  0.39259300  0.63615200  0.88985600  1.0
  O  O26  1  0.85740700  0.61384800  0.36014400  1.0
  O  O27  1  0.63615200  0.39259300  0.08139900  1.0
  O  O28  1  0.92269300  0.27678000  0.56388700  1.0
  O  O29  1  0.16860100  0.36014400  0.61384800  1.0