data_global
_amcsd_formula_title '(Zn.71Mn.29)Se'
loop_
_publ_author_name
'Yeh C'
'Lu Z W'
'Froyen S'
'Zunger A'
_journal_name_full 'Physical Review'
_journal_volume B52 
_journal_year 1995
_journal_page_first 11052
_journal_page_last 11058
_publ_section_title
;
 High-pressure phase transitions in Zn1-xMnxSe: A Raman scattering
 and photoluminescence study
 Note: wurtzite structure
 Note: synthetic
;
_database_code_amcsd 0015196
_chemical_formula_sum '(Zn.71 Mn.29) Se'
_cell_length_a 4.064
_cell_length_b 4.064
_cell_length_c 6.643
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 95.017
_exptl_crystal_density_diffrn      4.939
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn   0.33333   0.66667   0.00000   0.71000
Mn   0.33333   0.66667   0.00000   0.29000
Se   0.33333   0.66667   0.37500   1.00000