data_K2MgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   7.39
_cell_angle_alpha   148.24
_cell_angle_beta   135.93
_cell_angle_gamma   55.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgSe
_chemical_formula_sum   'K2 Mg1 Se1'
_cell_volume   146.59
_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
  K  K0  1  0.0  0.0  0.72  1.0
  K  K1  1  0.0  0.77  0.43  1.0
  Mg  Mg2  1  0.0  0.0  0.05  1.0
  Se  Se3  1  0.02  0.0  0.88  1.0

data_K2MgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   5.54
_cell_length_c   7.39
_cell_angle_alpha   112.04
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgSe
_chemical_formula_sum   'K2 Mg1 Se1'
_cell_volume   146.59
_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
  K  K0  1  0.28  0.28  0.28  1.0
  K  K1  1  0.57  0.34  0.34  1.0
  Mg  Mg2  1  0.95  0.95  0.95  1.0
  Se  Se3  1  0.14  0.12  0.14  1.0

K K Mg Se