# generated using pymatgen
data_Sr(ZrSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56807916
_cell_length_b   6.56808057
_cell_length_c   7.75913345
_cell_angle_alpha   98.11010213
_cell_angle_beta   98.11010527
_cell_angle_gamma   120.02437651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(ZrSe2)3
_chemical_formula_sum   'Sr1 Zr3 Se6'
_cell_volume   278.02649024
_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
  Sr  Sr0  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr1  1  0.83384545  0.16615455  0.00000000  1.0
  Zr  Zr2  1  0.50000000  0.50000000  0.00000000  1.0
  Zr  Zr3  1  0.16615455  0.83384545  1.00000000  1.0
  Se  Se4  1  0.24336561  0.24336561  0.21665999  1.0
  Se  Se5  1  0.90528775  0.56737129  0.21683182  1.0
  Se  Se6  1  0.56737129  0.90528775  0.21683182  1.0
  Se  Se7  1  0.43262871  0.09471225  0.78316918  1.0
  Se  Se8  1  0.09471225  0.43262871  0.78316918  1.0
  Se  Se9  1  0.75663639  0.75663639  0.78334101  1.0