# generated using pymatgen
data_CaCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03153546
_cell_length_b   7.05568955
_cell_length_c   7.15771974
_cell_angle_alpha   80.72370938
_cell_angle_beta   77.77369045
_cell_angle_gamma   77.59392156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr4O8
_chemical_formula_sum   'Ca1 Cr4 O8'
_cell_volume   145.05663642
_cell_formula_units_Z   1
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  0.41324000  0.07269600  0.10104600  1.0
  Cr  Cr1  1  0.63412300  0.17338300  0.55854000  1.0
  Cr  Cr2  1  0.14090500  0.50394800  0.21433200  1.0
  Cr  Cr3  1  0.83321900  0.49042400  0.84326900  1.0
  Cr  Cr4  1  0.34337900  0.81068300  0.50266800  1.0
  O  O5  1  0.85184000  0.67044600  0.62597800  1.0
  O  O6  1  0.44770700  0.32590600  0.77877900  1.0
  O  O7  1  0.53071100  0.65760900  0.28102700  1.0
  O  O8  1  0.12556400  0.31989800  0.42913700  1.0
  O  O9  1  0.15414900  0.01345400  0.67842400  1.0
  O  O10  1  0.78018200  0.33590300  0.10386100  1.0
  O  O11  1  0.83338600  0.97554800  0.35787600  1.0
  O  O12  1  0.20907400  0.62621000  0.95570900  1.0