# generated using pymatgen
data_CaOsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38927200
_cell_length_b   5.63878400
_cell_length_c   7.75987300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsO3
_chemical_formula_sum   'Ca4 Os4 O12'
_cell_volume   235.81432063
_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  0.01630700  0.43901700  0.25000000  1.0
  Ca  Ca1  1  0.98369300  0.56098300  0.75000000  1.0
  Ca  Ca2  1  0.51630700  0.06098300  0.75000000  1.0
  Ca  Ca3  1  0.48369300  0.93901700  0.25000000  1.0
  Os  Os4  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os5  1  0.50000000  0.50000000  0.00000000  1.0
  Os  Os6  1  0.00000000  0.00000000  0.50000000  1.0
  Os  Os7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.30610200  0.19897000  0.05116500  1.0
  O  O9  1  0.69389800  0.80103000  0.94883500  1.0
  O  O10  1  0.80610200  0.30103000  0.94883500  1.0
  O  O11  1  0.69389800  0.80103000  0.55116500  1.0
  O  O12  1  0.19389800  0.69897000  0.05116500  1.0
  O  O13  1  0.30610200  0.19897000  0.44883500  1.0
  O  O14  1  0.19389800  0.69897000  0.44883500  1.0
  O  O15  1  0.80610200  0.30103000  0.55116500  1.0
  O  O16  1  0.60274700  0.53236200  0.25000000  1.0
  O  O17  1  0.39725300  0.46763800  0.75000000  1.0
  O  O18  1  0.10274700  0.96763800  0.75000000  1.0
  O  O19  1  0.89725300  0.03236200  0.25000000  1.0